3-(4-methylphenyl)-2,4-bis(oxidanylidene)-N-[2-(phenylmethylsulfanyl)ethyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4-methylphenyl)-2,4-bis(oxidanylidene)-N-[2-(phenylmethylsulfanyl)ethyl]-1H-quinazoline-7-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2,4-dioxo-3-(p-tolyl)-1H-quinazoline-7-carboxamide CAS Name: 3-(4-methylphenyl)-2,4-dioxo-N-[2-(phenylmethylthio)ethyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2,4-diketo-3-(p-tolyl)-1H-quinazoline-7-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCSCC4=CC=CC=C4)NC2=O

InChI

InChI=1S/C25H23N3O3S/c1-17-7-10-20(11-8-17)28-24(30)21-12-9-19(15-22(21)27-25(28)31)23(29)26-13-14-32-16-18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,31)