ethyl 5-(phenylcarbamothioylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(phenylcarbamothioylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(phenylcarbamothioylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(phenylcarbamothioylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(phenylthiocarbamoylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S/c1-2-29-21(28)17-14-23-27(19-13-12-15-8-6-7-11-18(15)25-19)20(17)26-22(30)24-16-9-4-3-5-10-16/h3-14H,2H2,1H3,(H2,24,26,30)