N-[[4-[(2-chlorophenyl)carbonylamino]-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-[(2-chlorophenyl)carbonylamino]-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]thiocarbamoyl]-piperonylamide Formula: C23H18ClN3O5S MolecularWeight: 483.92412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H18ClN3O5S/c1-30-19-11-14(7-8-17(19)26-22(29)15-4-2-3-5-16(15)24)25-23(33)27-21(28)13-6-9-18-20(10-13)32-12-31-18/h2-11H,12H2,1H3,(H,26,29)(H2,25,27,28,33)