1-[4-[(5-ethoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea

Systemtic Name: 1-[4-[(5-ethoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Openeye Name: [4-[(5-ethoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[(5-ethoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thiourea IUPAC Name: [4-[(5-ethoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(5-ethoxy-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=S)N)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=S)N)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-2-24-14-8-13(20(22)23)7-10(15(14)21)9-18-11-3-5-12(6-4-11)19-16(17)25/h3-9,18H,2H2,1H3,(H3,17,19,25)