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

Systemtic Name: N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-ethylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-(ethylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-ethylsulfanylpyridine-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-(ethylthio)nicotinamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C19H20N4O2S/c1-2-26-19-14(7-5-9-21-19)18(25)23-16(17(20)24)10-12-11-22-15-8-4-3-6-13(12)15/h3-9,11,16,22H,2,10H2,1H3,(H2,20,24)(H,23,25)/t16-/m0/s1