5-[[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[[(2-amino-1-methyl-2-oxo-ethyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[[(1-amino-1-oxopropan-2-yl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[[(2-amino-2-keto-1-methyl-ethyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C(=O)N)NCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H20N4O2S/c1-11(18(20)24)22-10-12-7-8-15-14(9-12)17(16(23-15)19(21)25)26-13-5-3-2-4-6-13/h2-9,11,22-23H,10H2,1H3,(H2,20,24)(H2,21,25)