6-[[(4-methylphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(4-methylphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 3-phenylsulfanyl-6-[(p-tolylmethylamino)methyl]-1H-indole-2-carboxamide CAS Name: 6-[[(4-methylphenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(4-methylphenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(4-methylbenzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC3=C(C=C2)C(=C(N3)C(=O)N)SC4=CC=CC=C4

InChI

InChI=1S/C24H23N3OS/c1-16-7-9-17(10-8-16)14-26-15-18-11-12-20-21(13-18)27-22(24(25)28)23(20)29-19-5-3-2-4-6-19/h2-13,26-27H,14-15H2,1H3,(H2,25,28)