ethyl 4-[[(E)-1-isoquinolin-3-ylethylideneamino]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(E)-1-isoquinolin-3-ylethylideneamino]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[(E)-1-(3-isoquinolyl)ethylideneamino]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[(2E)-2-[1-(3-isoquinolinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-isoquinolin-3-ylethylideneamino]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(E)-1-(3-isoquinolyl)ethylideneamino]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NN=C(C)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)N/N=C(\C)/C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C19H23N5O2S/c1-3-26-19(25)24-10-8-23(9-11-24)18(27)22-21-14(2)17-12-15-6-4-5-7-16(15)13-20-17/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,27)/b21-14+