N-[(2S)-1-[(4-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(2S)-1-[(4-acetamidophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(1S)-1-[(4-acetamidophenyl)carbamoyl]-3-methylsulfanyl-propyl]-4-tert-butyl-benzamide CAS Name: N-[(2S)-1-(4-acetamidoanilino)-4-(methylthio)-1-oxobutan-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(2S)-1-(4-acetamidoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-tert-butylbenzamide Traditional Name: N-[(1S)-1-[(4-acetamidophenyl)carbamoyl]-3-(methylthio)propyl]-4-tert-butyl-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H31N3O3S/c1-16(28)25-19-10-12-20(13-11-19)26-23(30)21(14-15-31-5)27-22(29)17-6-8-18(9-7-17)24(2,3)4/h6-13,21H,14-15H2,1-5H3,(H,25,28)(H,26,30)(H,27,29)/t21-/m0/s1