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

Systemtic Name: N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]-piperonylamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H19N3O4S/c1-14-5-2-3-8-18(14)22(28)24-16-6-4-7-17(12-16)25-23(31)26-21(27)15-9-10-19-20(11-15)30-13-29-19/h2-12H,13H2,1H3,(H,24,28)(H2,25,26,27,31)