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

Systemtic Name: ethyl 4-[(1-isoquinolin-3-ylethylamino)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-(3-isoquinolyl)ethylamino]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-isoquinolinyl)ethylhydrazo]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-isoquinolin-3-ylethylamino)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[1-(3-isoquinolyl)ethylamino]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25N5O2S MolecularWeight: 387.4991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/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/h4-7,12-14,21H,3,8-11H2,1-2H3,(H,22,27)