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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[1-(2-thienyl)ethyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(1-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-[1-(2-thienyl)ethyl]acetamide Formula: C21H24ClN3O2S2 MolecularWeight: 450.01716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)C3=CC=CS3

InChI

InChI=1S/C21H24ClN3O2S2/c1-13(2)8-9-25-20(27)16-7-6-15(22)11-17(16)24-21(25)29-12-19(26)23-14(3)18-5-4-10-28-18/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,23,26)