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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzhydryl-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzhydryl-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-benzhydryl-4-piperonyl-piperazine-1-carbothioamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S/c32-26(27-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22)29-15-13-28(14-16-29)18-20-11-12-23-24(17-20)31-19-30-23/h1-12,17,25H,13-16,18-19H2,(H,27,32)