1-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]thiourea

Systemtic Name: 1-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]thiourea Openeye Name: [(7,8-dimethoxy-1-oxo-isothiochromene-3-carbonyl)amino]thiourea CAS Name: [[(7,8-dimethoxy-1-oxo-2-benzothiopyran-3-yl)-oxomethyl]amino]thiourea IUPAC Name: [(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]thiourea Traditional Name: [(1-keto-7,8-dimethoxy-isothiochromene-3-carbonyl)amino]thiourea Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NNC(=S)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NNC(=S)N)OC

InChI

InChI=1S/C13H13N3O4S2/c1-19-7-4-3-6-5-8(11(17)15-16-13(14)21)22-12(18)9(6)10(7)20-2/h3-5H,1-2H3,(H,15,17)(H3,14,16,21)