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

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea Formula: C16H15ClN4O5S MolecularWeight: 410.8321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O5S/c1-25-13-4-3-11(7-14(13)26-2)19-16(27)20-18-8-9-5-10(17)6-12(15(9)22)21(23)24/h3-8,18H,1-2H3,(H2,19,20,27)