2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H21ClN4O2S/c1-4-11-26-20(28)17-10-5-14(22)12-18(17)24-21(26)29-13-19(27)23-15-6-8-16(9-7-15)25(2)3/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)