N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]-2-furamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CO3

InChI

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