1-[(E)-(6,7-dimethoxyisoquinolin-1-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(6,7-dimethoxyisoquinolin-1-yl)methylideneamino]thiourea Openeye Name: [(E)-(6,7-dimethoxy-1-isoquinolyl)methyleneamino]thiourea CAS Name: [(E)-(6,7-dimethoxy-1-isoquinolinyl)methylideneamino]thiourea IUPAC Name: [(E)-(6,7-dimethoxyisoquinolin-1-yl)methylideneamino]thiourea Traditional Name: [(E)-(6,7-dimethoxy-1-isoquinolyl)methyleneamino]thiourea Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C=NNC(=S)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2/C=N/NC(=S)N)OC

InChI

InChI=1S/C13H14N4O2S/c1-18-11-5-8-3-4-15-10(7-16-17-13(14)20)9(8)6-12(11)19-2/h3-7H,1-2H3,(H3,14,17,20)/b16-7+