N'-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidene-propan-2-yl]butanediamide

Systemtic Name: N'-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidene-propan-2-yl]butanediamide Openeye Name: N'-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-thioxo-ethyl]butanediamide CAS Name: N'-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidenepropan-2-yl]butanediamide IUPAC Name: N'-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidenepropan-2-yl]butanediamide Traditional Name: N'-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-thioxo-ethyl]succinamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)N

Isomeric SMILES

CNC(=S)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCC(=O)N

InChI

InChI=1S/C16H20N4O2S/c1-18-16(23)13(20-15(22)7-6-14(17)21)8-10-9-19-12-5-3-2-4-11(10)12/h2-5,9,13,19H,6-8H2,1H3,(H2,17,21)(H,18,23)(H,20,22)/t13-/m0/s1