N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-benzylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-benzylsulfanylpyridine-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-(benzylthio)nicotinamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C24H22N4O2S/c25-22(29)21(13-17-14-27-20-11-5-4-9-18(17)20)28-23(30)19-10-6-12-26-24(19)31-15-16-7-2-1-3-8-16/h1-12,14,21,27H,13,15H2,(H2,25,29)(H,28,30)/t21-/m0/s1