N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]-2-furamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H18N4O4S/c1-13-5-2-3-6-16(13)19(27)22-15-10-8-14(9-11-15)18(26)24-25-21(30)23-20(28)17-7-4-12-29-17/h2-12H,1H3,(H,22,27)(H,24,26)(H2,23,25,28,30)