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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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