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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)carbonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorobenzoyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-chlorophenyl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorobenzoyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20ClN3O3S/c21-16-4-2-1-3-15(16)19(25)23-7-9-24(10-8-23)20(28)22-12-14-5-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,22,28)