N-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide

Systemtic Name: N-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide Openeye Name: N-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide CAS Name: N-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]-4-methylbenzamide Traditional Name: N-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C20H22ClN3OS/c1-14-3-6-16(7-4-14)19(25)22-20(26)24-11-9-23(10-12-24)18-13-17(21)8-5-15(18)2/h3-8,13H,9-12H2,1-2H3,(H,22,25,26)