3-(1H-indol-3-yl)-2-methyl-2-[(4-methylsulfanylphenyl)methylamino]-N-(1-phenylethyl)propanamide

Systemtic Name: 3-(1H-indol-3-yl)-2-methyl-2-[(4-methylsulfanylphenyl)methylamino]-N-(1-phenylethyl)propanamide Openeye Name: 3-(1H-indol-3-yl)-2-methyl-2-[(4-methylsulfanylphenyl)methylamino]-N-(1-phenylethyl)propanamide CAS Name: 3-(1H-indol-3-yl)-2-methyl-2-[[4-(methylthio)phenyl]methylamino]-N-(1-phenylethyl)propanamide IUPAC Name: 3-(1H-indol-3-yl)-2-methyl-2-[(4-methylsulfanylphenyl)methylamino]-N-(1-phenylethyl)propanamide Traditional Name: 3-(1H-indol-3-yl)-2-methyl-2-[[4-(methylthio)benzyl]amino]-N-(1-phenylethyl)propionamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CNC3=CC=CC=C32)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CNC3=CC=CC=C32)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C28H31N3OS/c1-20(22-9-5-4-6-10-22)31-27(32)28(2,30-18-21-13-15-24(33-3)16-14-21)17-23-19-29-26-12-8-7-11-25(23)26/h4-16,19-20,29-30H,17-18H2,1-3H3,(H,31,32)