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

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylamino]-N-(1-phenylethyl)propanamide Openeye Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylamino]-N-(1-phenylethyl)propanamide CAS Name: 3-(1H-indol-3-yl)-2-[[4-(methylthio)phenyl]methylamino]-N-(1-phenylethyl)propanamide IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylamino]-N-(1-phenylethyl)propanamide Traditional Name: 3-(1H-indol-3-yl)-2-[[4-(methylthio)benzyl]amino]-N-(1-phenylethyl)propionamide Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3OS/c1-19(21-8-4-3-5-9-21)30-27(31)26(28-17-20-12-14-23(32-2)15-13-20)16-22-18-29-25-11-7-6-10-24(22)25/h3-15,18-19,26,28-29H,16-17H2,1-2H3,(H,30,31)