N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-(phenacylthio)-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3,4-dimethoxyphenyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C32H27N3O5S MolecularWeight: 565.63888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C32H27N3O5S/c1-39-28-16-14-24(18-29(28)40-2)33-30(37)23-13-15-25-26(17-23)34-32(41-20-27(36)22-11-7-4-8-12-22)35(31(25)38)19-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3,(H,33,37)