N-[2-methyl-5-(propanoylamino)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-methyl-5-(propanoylamino)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(2-methyl-5-propionamido-phenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C22H22N4O3S/c1-4-10-26-21(29)16-9-7-14(11-18(16)25-22(26)30)20(28)24-17-12-15(8-6-13(17)3)23-19(27)5-2/h4,6-9,11-12H,1,5,10H2,2-3H3,(H,23,27)(H,24,28)(H,25,30)