ethyl 4-[[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H23ClN4O4S/c1-2-32-23(31)27-11-9-26(10-12-27)20(29)15-7-8-17-19(13-15)25-22(33)28(21(17)30)14-16-5-3-4-6-18(16)24/h3-8,13H,2,9-12,14H2,1H3,(H,25,33)