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

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O2S/c1-2-10-22-18(25)13-27-20-23-17-11-15(21)8-9-16(17)19(26)24(20)12-14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2,(H,22,25)