5-[[(2-cyano-4,5-dimethoxy-phenyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 5-[[(2-cyano-4,5-dimethoxy-phenyl)amino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 5-[(2-cyano-4,5-dimethoxy-anilino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 5-[(2-cyano-4,5-dimethoxyanilino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 5-[(2-cyano-4,5-dimethoxyanilino)methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 5-[(2-cyano-4,5-dimethoxy-anilino)methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NCC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NCC2=CC3=C(C=C2)NC(=C3SC4=CC=CC=C4)C(=O)N)OC

InChI

InChI=1S/C25H22N4O3S/c1-31-21-11-16(13-26)20(12-22(21)32-2)28-14-15-8-9-19-18(10-15)24(23(29-19)25(27)30)33-17-6-4-3-5-7-17/h3-12,28-29H,14H2,1-2H3,(H2,27,30)