N-[2-methyl-4-[(4-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-4-[(4-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-4-[(4-methyl-3-nitro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-4-[[[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-4-[(4-methyl-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-4-[(4-methyl-3-nitro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CO3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-12-5-6-14(11-17(12)25(28)29)19(26)24-21(31)22-15-7-8-16(13(2)10-15)23-20(27)18-4-3-9-30-18/h3-11H,1-2H3,(H,23,27)(H2,22,24,26,31)