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

Systemtic Name: 1-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-p-anisyl-thiourea Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c1-25-13-5-3-11(4-6-13)9-18-17(27)20-19-10-12-7-14(21(23)24)16(22)15(8-12)26-2/h3-8,10,19H,9H2,1-2H3,(H2,18,20,27)