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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C=CC(=O)C=C1O

Isomeric SMILES

CCCCNC(=S)NNC=C1C=CC(=O)C=C1O

InChI

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