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

Systemtic Name: 1-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxyphenyl)thiourea Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC=C2C=C(C(=O)C(=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c1-24-12-5-3-4-11(8-12)18-16(26)19-17-9-10-6-13(20(22)23)15(21)14(7-10)25-2/h3-9,17H,1-2H3,(H2,18,19,26)