6-[[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(3,5-dichloro-2-hydroxy-phenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(3,5-dichloro-2-hydroxyphenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(3,5-dichloro-2-hydroxyphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(3,5-dichloro-2-hydroxy-benzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C23H19Cl2N3O2S MolecularWeight: 472.38686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC(=CC(=C4O)Cl)Cl)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC(=CC(=C4O)Cl)Cl)C(=O)N

InChI

InChI=1S/C23H19Cl2N3O2S/c24-15-9-14(21(29)18(25)10-15)12-27-11-13-6-7-17-19(8-13)28-20(23(26)30)22(17)31-16-4-2-1-3-5-16/h1-10,27-29H,11-12H2,(H2,26,30)