N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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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)OCCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H21N3O4S/c1-15-5-2-3-8-19(15)23(29)25-17-6-4-7-18(14-17)26-24(32)27-22(28)16-9-10-20-21(13-16)31-12-11-30-20/h2-10,13-14H,11-12H2,1H3,(H,25,29)(H2,26,27,28,32)