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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1O)NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(=C1C=CC(=O)C=C1O)NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O2S/c1-11(14-8-7-13(20)9-15(14)21)18-19-16(22)17-10-12-5-3-2-4-6-12/h2-9,18,21H,10H2,1H3,(H2,17,19,22)