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

Systemtic Name: 6-[[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CC4=CNC5=CC=CC=C54)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNC(=O)C(CC4=CNC5=CC=CC=C54)N)C(=O)N

InChI

InChI=1S/C27H25N5O2S/c28-21(13-17-15-30-22-9-5-4-8-19(17)22)27(34)31-14-16-10-11-20-23(12-16)32-24(26(29)33)25(20)35-18-6-2-1-3-7-18/h1-12,15,21,30,32H,13-14,28H2,(H2,29,33)(H,31,34)