2-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-propyl-amino]-N-(o-tolyl)acetamide CAS Name: 2-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-propylamino]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C25H27ClN4O3S/c1-4-12-29(15-22(31)27-20-9-7-6-8-17(20)3)23(32)16-34-25-28-21-14-18(26)10-11-19(21)24(33)30(25)13-5-2/h5-11,14H,2,4,12-13,15-16H2,1,3H3,(H,27,31)