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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-cyanophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H20N4O2S/c21-12-15-2-1-3-17(10-15)22-20(27)24-8-6-23(7-9-24)13-16-4-5-18-19(11-16)26-14-25-18/h1-5,10-11H,6-9,13-14H2,(H,22,27)