[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3-phenylsulfanyl-1H-indol-2-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3-phenylsulfanyl-1H-indol-2-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3-phenylsulfanyl-1H-indol-2-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-[6-methoxy-3-(phenylthio)-1H-indol-2-yl]methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxy-3-phenylsulfanyl-1H-indol-2-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-[6-methoxy-3-(phenylthio)-1H-indol-2-yl]methanone Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(C4=C(N3)C=C(C=C4)OC)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(C4=C(N3)C=C(C=C4)OC)SC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S/c1-19-9-10-20(2)25(17-19)30-13-15-31(16-14-30)28(32)26-27(34-22-7-5-4-6-8-22)23-12-11-21(33-3)18-24(23)29-26/h4-12,17-18,29H,13-16H2,1-3H3