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

Systemtic Name: 6-[[(2-azanyl-3-phenyl-propanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(2-amino-3-phenyl-propanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(2-amino-1-oxo-3-phenylpropyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(2-amino-3-phenylpropanoyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[(phenylalanylamino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4)N

InChI

InChI=1S/C25H24N4O2S/c26-20(13-16-7-3-1-4-8-16)25(31)28-15-17-11-12-19-21(14-17)29-22(24(27)30)23(19)32-18-9-5-2-6-10-18/h1-12,14,20,29H,13,15,26H2,(H2,27,30)(H,28,31)