6-[[(2-azanyl-4-methylsulfanyl-butanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(2-azanyl-4-methylsulfanyl-butanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(2-amino-4-methylsulfanyl-butanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[[2-amino-4-(methylthio)-1-oxobutyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(2-amino-4-methylsulfanylbutanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[[2-amino-4-(methylthio)butanoyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-28-10-9-16(22)21(27)24-12-13-7-8-15-17(11-13)25-18(20(23)26)19(15)29-14-5-3-2-4-6-14/h2-8,11,16,25H,9-10,12,22H2,1H3,(H2,23,26)(H,24,27)