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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C16H15FN4O4S MolecularWeight: 378.378103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CNNC(=S)NCC2=CC=C(C=C2)F)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H15FN4O4S/c1-25-14-7-11(6-13(15(14)22)21(23)24)9-19-20-16(26)18-8-10-2-4-12(17)5-3-10/h2-7,9,19H,8H2,1H3,(H2,18,20,26)