ethyl 4-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H29ClN4O4S MolecularWeight: 481.00806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C22H29ClN4O4S/c1-4-31-22(30)26-9-7-16(8-10-26)24-19(28)13-32-21-25-18-6-5-15(23)11-17(18)20(29)27(21)12-14(2)3/h5-6,11,14,16H,4,7-10,12-13H2,1-3H3,(H,24,28)