N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-(4-chloro-2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide Formula: C26H28ClN3O2S MolecularWeight: 482.03742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC)Cl

InChI

InChI=1S/C26H28ClN3O2S/c1-31-23-18-22(24(32-2)17-21(23)27)28-26(33)30-15-13-29(14-16-30)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,25H,13-16H2,1-2H3,(H,28,33)