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

Systemtic Name: 1-butyl-3-[1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-butyl-3-[1-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-butyl-3-[1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylamino]thiourea IUPAC Name: 1-butyl-3-[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-butyl-3-[1-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylamino]thiourea Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S/c1-3-4-7-14-13(19)16-15-9(2)11-6-5-10(17)8-12(11)18/h5-6,8,15,18H,3-4,7H2,1-2H3,(H2,14,16,19)