N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(2-furylmethyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-(2-furanylmethyl)-2-[(4-methylphenyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-N-(2-furfuryl)-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2CC=C

InChI

InChI=1S/C25H23N3O3S/c1-3-12-28-24(30)21-11-10-19(23(29)26-15-20-5-4-13-31-20)14-22(21)27-25(28)32-16-18-8-6-17(2)7-9-18/h3-11,13-14H,1,12,15-16H2,2H3,(H,26,29)