2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-ethyl-4-piperidyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(1-ethyl-4-piperidinyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(1-ethyl-4-piperidyl)acetamide Formula: C22H31ClN4O2S MolecularWeight: 451.02514

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CCN1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C22H31ClN4O2S/c1-4-26-10-8-17(9-11-26)24-20(28)14-30-22-25-19-13-16(23)5-6-18(19)21(29)27(22)12-7-15(2)3/h5-6,13,15,17H,4,7-12,14H2,1-3H3,(H,24,28)