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

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

CC(C)(C)NC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

Isomeric SMILES

CC(C)(C)NC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

InChI

InChI=1S/C12H16ClN3O2S/c1-12(2,3)15-11(19)16-14-6-7-4-8(13)10(18)9(17)5-7/h4-6,14,17H,1-3H3,(H2,15,16,19)