N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(3-chlorophenyl)piperazin-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(3-chlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(3-chlorophenyl)piperazine-1-carbothioyl]-piperonylamide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18ClN3O3S/c20-14-2-1-3-15(11-14)22-6-8-23(9-7-22)19(27)21-18(24)13-4-5-16-17(10-13)26-12-25-16/h1-5,10-11H,6-9,12H2,(H,21,24,27)