N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-3-phenyl-prop-2-enamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-phenyl-prop-2-enamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide Traditional Name: 3-phenyl-N-(4-piperonylpiperazine-1-carbothioyl)acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c26-21(9-7-17-4-2-1-3-5-17)23-22(29)25-12-10-24(11-13-25)15-18-6-8-19-20(14-18)28-16-27-19/h1-9,14H,10-13,15-16H2,(H,23,26,29)