6-[[(2-azanyl-3-methyl-pentanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(2-azanyl-3-methyl-pentanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(2-amino-3-methyl-pentanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(2-amino-3-methyl-1-oxopentyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(2-amino-3-methylpentanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(2-amino-3-methyl-pentanoyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC2=C(C=C1)C(=C(N2)C(=O)N)SC3=CC=CC=C3)N

Isomeric SMILES

CCC(C)C(C(=O)NCC1=CC2=C(C=C1)C(=C(N2)C(=O)N)SC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N4O2S/c1-3-13(2)18(23)22(28)25-12-14-9-10-16-17(11-14)26-19(21(24)27)20(16)29-15-7-5-4-6-8-15/h4-11,13,18,26H,3,12,23H2,1-2H3,(H2,24,27)(H,25,28)