N-[4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]propanamide CAS Name: N-[4-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]phenyl]propanamide IUPAC Name: N-[4-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H21N3O3S/c1-3-13-25-21(28)17-7-5-6-8-18(17)24-22(25)29-14-19(26)15-9-11-16(12-10-15)23-20(27)4-2/h3,5-12H,1,4,13-14H2,2H3,(H,23,27)