4-(diphenylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-31-23-18-22(19-24(32-2)26(23)33-3)28-27(34)30-16-14-29(15-17-30)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,25H,14-17H2,1-3H3,(H,28,34)