HIT ID: HIT212710078
Cas No: 623166-14-3
分子式: C21H29N3O3S2
分子量: 435.6
常用名: JYL-1511
氢键受体数 (HBA): 3
氢键供体数 (HBD): 3
LogP: 3.1828582
IUPAC: 1-[(4-tert-butylphenyl)methyl]-3-[(4-methanesulfonamido-3-methoxyphenyl)methyl]thiourea
IUPAC: 1-[(4-tert-butylphenyl)methyl]-3-[(4-methanesulfonamido-3-methoxyphenyl)methyl]thiourea
SMILES: COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
SMILES: COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
InChI key: QGFPXWPVMTWSAE-UHFFFAOYSA-N