2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[[(2-methylcyclohexyl)amino]-oxomethyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[(2-methylcyclohexyl)carbamoyl]acetamide Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H25ClN4O3S/c1-3-10-26-19(28)15-9-8-14(22)11-17(15)24-21(26)30-12-18(27)25-20(29)23-16-7-5-4-6-13(16)2/h3,8-9,11,13,16H,1,4-7,10,12H2,2H3,(H2,23,25,27,29)