1-(3,4-dimethoxyphenyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-21-14-8-5-12(9-15(14)22-2)18-16(23)19-17-10-11-3-6-13(20)7-4-11/h3-10,17H,1-2H3,(H2,18,19,23)