N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-4-keto-N-(2-methoxyethyl)-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25N3O4S/c1-32-15-14-27-24(30)19-8-13-22-23(16-19)28-26(34-17-18-6-4-3-5-7-18)29(25(22)31)20-9-11-21(33-2)12-10-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)