ethyl 7-[carbamothioyl(phenyl)amino]-4-methyl-5-oxidanylidene-pyrazolo[1,5-a]quinazoline-3-carboxylate

Systemtic Name: ethyl 7-[carbamothioyl(phenyl)amino]-4-methyl-5-oxidanylidene-pyrazolo[1,5-a]quinazoline-3-carboxylate Openeye Name: ethyl 7-(N-carbamothioylanilino)-4-methyl-5-oxo-pyrazolo[1,5-a]quinazoline-3-carboxylate CAS Name: 7-(N-carbamothioylanilino)-4-methyl-5-oxo-3-pyrazolo[1,5-a]quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(N-carbamothioylanilino)-4-methyl-5-oxopyrazolo[1,5-a]quinazoline-3-carboxylate Traditional Name: 5-keto-4-methyl-7-(N-thiocarbamoylanilino)pyrazolo[1,5-a]quinazoline-3-carboxylic acid ethyl ester Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C(=O)C3=C(N2N=C1)C=CC(=C3)N(C4=CC=CC=C4)C(=S)N)C

Isomeric SMILES

CCOC(=O)C1=C2N(C(=O)C3=C(N2N=C1)C=CC(=C3)N(C4=CC=CC=C4)C(=S)N)C

InChI

InChI=1S/C21H19N5O3S/c1-3-29-20(28)16-12-23-26-17-10-9-14(11-15(17)19(27)24(2)18(16)26)25(21(22)30)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H2,22,30)