4-chloranyl-N-cyclohexyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 4-chloranyl-N-cyclohexyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-chloro-N-cyclohexyl-N-[4-(2-pyridyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-chloro-N-cyclohexyl-N-[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-cyclohexyl-N-(4-pyridin-2-ylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-chloro-N-cyclohexyl-N-[4-(2-pyridyl)piperazine-1-carbothioyl]benzamide Formula: C23H27ClN4OS MolecularWeight: 443.00468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H27ClN4OS/c24-19-11-9-18(10-12-19)22(29)28(20-6-2-1-3-7-20)23(30)27-16-14-26(15-17-27)21-8-4-5-13-25-21/h4-5,8-13,20H,1-3,6-7,14-17H2