4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-phenylphenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2S/c31-25(26-22-9-5-4-8-21(22)20-6-2-1-3-7-20)28-14-12-27(13-15-28)17-19-10-11-23-24(16-19)30-18-29-23/h1-11,16H,12-15,17-18H2,(H,26,31)