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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[[4-(3-pyridylmethoxy)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-[[4-(3-pyridinylmethoxy)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[4-(3-pyridylmethoxy)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OCC4=CN=CC=C4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OCC4=CN=CC=C4)NC1=S

InChI

InChI=1S/C25H22N4O3S/c1-2-12-29-24(31)21-10-7-19(13-22(21)28-25(29)33)23(30)27-15-17-5-8-20(9-6-17)32-16-18-4-3-11-26-14-18/h2-11,13-14H,1,12,15-16H2,(H,27,30)(H,28,33)