N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(2-sulfanylethylamino)ethyl]pyridine-3-carboxamide CAS Name: N-[(2R)-3-(1H-indol-3-yl)-1-(2-mercaptoethylamino)-1-oxopropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-(2-mercaptoethylamino)ethyl]nicotinamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCS)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)NCCS)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H20N4O2S/c24-18(13-4-3-7-20-11-13)23-17(19(25)21-8-9-26)10-14-12-22-16-6-2-1-5-15(14)16/h1-7,11-12,17,22,26H,8-10H2,(H,21,25)(H,23,24)/t17-/m1/s1