2-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-3-(1H-indol-3-yl)-N-methyl-propanamide

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)-methyl-amino]-3-(1H-indol-3-yl)-N-methyl-propanamide Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)-methyl-amino]-3-(1H-indol-3-yl)-N-methyl-propanamide CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)-methylamino]-3-(1H-indol-3-yl)-N-methylpropanamide IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)-methylamino]-3-(1H-indol-3-yl)-N-methylpropanamide Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)-methyl-amino]-3-(1H-indol-3-yl)-N-methyl-propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CNC2=CC=CC=C21)N(C)C(=O)C(CS)N

Isomeric SMILES

CNC(=O)C(CC1=CNC2=CC=CC=C21)N(C)C(=O)C(CS)N

InChI

InChI=1S/C16H22N4O2S/c1-18-15(21)14(20(2)16(22)12(17)9-23)7-10-8-19-13-6-4-3-5-11(10)13/h3-6,8,12,14,19,23H,7,9,17H2,1-2H3,(H,18,21)