6-[[2,6-bis(azanyl)hexanoylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[2,6-bis(azanyl)hexanoylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[(2,6-diaminohexanoylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(2,6-diamino-1-oxohexyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[(2,6-diaminohexanoylamino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[(2,6-diaminohexanoylamino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C22H27N5O2S MolecularWeight: 425.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CCCCN)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CCCCN)N)C(=O)N

InChI

InChI=1S/C22H27N5O2S/c23-11-5-4-8-17(24)22(29)26-13-14-9-10-16-18(12-14)27-19(21(25)28)20(16)30-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,27H,4-5,8,11,13,23-24H2,(H2,25,28)(H,26,29)