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

Systemtic Name: 1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3,4-dimethoxyphenyl)thiourea Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NNC=C2C=C(C(=O)C(=C2)Cl)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NNC=C2C=C(C(=O)C(=C2)Cl)O)OC

InChI

InChI=1S/C16H16ClN3O4S/c1-23-13-4-3-10(7-14(13)24-2)19-16(25)20-18-8-9-5-11(17)15(22)12(21)6-9/h3-8,18,21H,1-2H3,(H2,19,20,25)