1-[[1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-phenyl-propyl]amino]thiourea

Systemtic Name: 1-[[1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3-phenyl-propyl]amino]thiourea Openeye Name: [[1-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3-phenyl-propyl]amino]thiourea CAS Name: [[1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3-phenylpropyl]amino]thiourea IUPAC Name: [[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenylpropyl]amino]thiourea Traditional Name: [[1-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3-phenyl-propyl]amino]thiourea Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=C2C=CC(=O)C=C2O)NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=C2C=CC(=O)C=C2O)NNC(=S)N

InChI

InChI=1S/C16H17N3O2S/c17-16(22)19-18-14(9-6-11-4-2-1-3-5-11)13-8-7-12(20)10-15(13)21/h1-5,7-8,10,18,21H,6,9H2,(H3,17,19,22)