[(Z)-cyano-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl] carbamimidothioate

Systemtic Name: [(Z)-cyano-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl] carbamimidothioate Openeye Name: 2-[(Z)-cyano-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]isothiourea CAS Name: carbamimidothioic acid [(Z)-cyano-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl] ester IUPAC Name: [(Z)-cyano-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl] carbamimidothioate Traditional Name: 2-[(Z)-cyano-(6,7-diethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)methyl]isothiourea Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCNC2=C(C#N)SC(=N)N)OCC

Isomeric SMILES

CCOC1=C(C=C\2C(=C1)CCN/C2=C(/C#N)\SC(=N)N)OCC

InChI

InChI=1S/C16H20N4O2S/c1-3-21-12-7-10-5-6-20-15(14(9-17)23-16(18)19)11(10)8-13(12)22-4-2/h7-8,20H,3-6H2,1-2H3,(H3,18,19)/b15-14-