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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC5=C(C=C4)OCO5

InChI

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