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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-22-13-7-6-11(8-14(13)23-2)18-16(24)19-17-9-10-4-3-5-12(20)15(10)21/h3-9,17,20H,1-2H3,(H2,18,19,24)