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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-piperonyl-piperazine-1-carbothioamide Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN3O4S2/c20-15-2-4-16(5-3-15)29(24,25)23-9-7-22(8-10-23)19(28)21-12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2,(H,21,28)