[3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone Openeye Name: [3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]-[3-methyl-4-(m-tolyl)piperazin-1-yl]methanone CAS Name: [3-[(4-chlorophenyl)thio]-6-methyl-1H-indol-2-yl]-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-chlorophenyl)sulfanyl-6-methyl-1H-indol-2-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone Traditional Name: [3-[(4-chlorophenyl)thio]-6-methyl-1H-indol-2-yl]-[3-methyl-4-(m-tolyl)piperazino]methanone Formula: C28H28ClN3OS MolecularWeight: 490.05942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=C(C4=C(N3)C=C(C=C4)C)SC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=C(C4=C(N3)C=C(C=C4)C)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN3OS/c1-18-5-4-6-22(15-18)32-14-13-31(17-20(32)3)28(33)26-27(34-23-10-8-21(29)9-11-23)24-12-7-19(2)16-25(24)30-26/h4-12,15-16,20,30H,13-14,17H2,1-3H3