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

Systemtic Name: N-[[4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide Traditional Name: N-[[4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]acetamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-10(21)18-16(25)19-13-4-2-12(3-5-13)17-9-11-8-14(20(23)24)6-7-15(11)22/h2-9,17H,1H3,(H2,18,19,21,25)