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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

InChI

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