N-[[4-[(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]ethanamide

Systemtic Name: N-[[4-[(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-[(3-methyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-[(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide Traditional Name: N-[[4-[(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]acetamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2=CC=C(C=C2)NC(=S)NC(=O)C)C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CNC2=CC=C(C=C2)NC(=S)NC(=O)C)C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-10-7-12(16(23)15(8-10)21(24)25)9-18-13-3-5-14(6-4-13)20-17(26)19-11(2)22/h3-9,18H,1-2H3,(H2,19,20,22,26)