N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-methoxy-3-(3-pyridinylmethoxy)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OCC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OCC4=CN=CC=C4

InChI

InChI=1S/C25H22N4O4S/c1-3-11-29-24(31)19-8-6-17(12-20(19)28-25(29)34)23(30)27-18-7-9-21(32-2)22(13-18)33-15-16-5-4-10-26-14-16/h3-10,12-14H,1,11,15H2,2H3,(H,27,30)(H,28,34)