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

Systemtic Name: 1-[4-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Openeye Name: [4-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]thiourea IUPAC Name: [4-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=S)N)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC=C(C=C2)NC(=S)N)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-23-13-7-12(19(21)22)6-9(14(13)20)8-17-10-2-4-11(5-3-10)18-15(16)24/h2-8,17H,1H3,(H3,16,18,24)