[3-azanyl-4-(4-methylphenyl)sulfanyl-phenyl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: [3-azanyl-4-(4-methylphenyl)sulfanyl-phenyl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone Openeye Name: [3-amino-4-(p-tolylsulfanyl)phenyl]-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [3-amino-4-[(4-methylphenyl)thio]phenyl]-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [3-amino-4-(4-methylphenyl)sulfanylphenyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [3-amino-4-(p-tolylthio)phenyl]-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C25H26ClN3OS MolecularWeight: 452.01144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)N

InChI

InChI=1S/C25H26ClN3OS/c1-17-3-8-21(9-4-17)31-24-10-6-19(15-22(24)27)25(30)29-13-11-28(12-14-29)23-16-20(26)7-5-18(23)2/h3-10,15-16H,11-14,27H2,1-2H3