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

Systemtic Name: 1-butyl-3-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-butyl-3-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-butyl-3-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-butyl-3-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-butyl-3-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

Isomeric SMILES

CCCCNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

InChI

InChI=1S/C12H16ClN3O2S/c1-2-3-4-14-12(19)16-15-7-8-5-9(13)11(18)10(17)6-8/h5-7,15,17H,2-4H2,1H3,(H2,14,16,19)