1-[(E)-1-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)ethylideneamino]thiourea

Systemtic Name: 1-[(E)-1-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)ethylideneamino]thiourea Openeye Name: [(E)-1-(1-oxoisochroman-3-yl)ethylideneamino]thiourea CAS Name: [(E)-1-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)ethylideneamino]thiourea IUPAC Name: [(E)-1-(1-oxo-3,4-dihydroisochromen-3-yl)ethylideneamino]thiourea Traditional Name: [(E)-1-(1-ketoisochroman-3-yl)ethylideneamino]thiourea Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C1CC2=CC=CC=C2C(=O)O1

Isomeric SMILES

C/C(=N\NC(=S)N)/C1CC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C12H13N3O2S/c1-7(14-15-12(13)18)10-6-8-4-2-3-5-9(8)11(16)17-10/h2-5,10H,6H2,1H3,(H3,13,15,18)/b14-7+