N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbonyl-2-chloranyl-phenyl]ethanamide

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbonyl-2-chloranyl-phenyl]ethanamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carbonyl]-2-chloro-phenyl]acetamide CAS Name: N-[3-[[2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-2-chlorophenyl]acetamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carbonyl]-2-chlorophenyl]acetamide Traditional Name: N-[2-chloro-3-[2-(piperonylthiocarbamoyl)pyrazolidine-1-carbonyl]phenyl]acetamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1Cl)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1Cl)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21ClN4O4S/c1-13(27)24-16-5-2-4-15(19(16)22)20(28)25-8-3-9-26(25)21(31)23-11-14-6-7-17-18(10-14)30-12-29-17/h2,4-7,10H,3,8-9,11-12H2,1H3,(H,23,31)(H,24,27)