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

Systemtic Name: 1-tert-butyl-3-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-tert-butyl-3-[(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-tert-butyl-3-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-tert-butyl-3-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-tert-butyl-3-[(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-12(2,3)14-11(18)15-13-7-8-4-5-9(16)10(17)6-8/h4-7,13,17H,1-3H3,(H2,14,15,18)