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

Systemtic Name: N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]-piperonylamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

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