N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-piperonylamide Formula: C24H21ClN4O4S2 MolecularWeight: 529.03094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)Cl)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H21ClN4O4S2/c25-17-13-16(26-24(34)27-22(30)15-3-6-19-20(12-15)33-14-32-19)4-5-18(17)28-7-9-29(10-8-28)23(31)21-2-1-11-35-21/h1-6,11-13H,7-10,14H2,(H2,26,27,30,34)