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

Systemtic Name: N-[[4-[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-[(3-bromo-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-[(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]carbamothioyl]acetamide Traditional Name: N-[[4-[(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiocarbamoyl]acetamide Formula: C16H13BrN4O4S MolecularWeight: 437.26782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN4O4S/c1-9(22)19-16(26)20-13-4-2-12(3-5-13)18-8-10-6-11(17)7-14(15(10)23)21(24)25/h2-8,18H,1H3,(H2,19,20,22,26)