N-(3,5-dimethylphenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3,5-dimethylphenyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-(3,5-dimethylphenyl)-4-oxo-2-(phenacylthio)-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(3,5-dimethylphenyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3,5-dimethylphenyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C32H27N3O3S MolecularWeight: 533.64008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C32H27N3O3S/c1-21-15-22(2)17-26(16-21)33-30(37)25-13-14-27-28(18-25)34-32(39-20-29(36)24-11-7-4-8-12-24)35(31(27)38)19-23-9-5-3-6-10-23/h3-18H,19-20H2,1-2H3,(H,33,37)