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

Systemtic Name: N-(3,5-dimethylphenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(3,5-dimethylphenyl)-4-oxo-2-(phenacylthio)-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C33H29N3O3S MolecularWeight: 547.66666

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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)CCC5=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)CCC5=CC=CC=C5)C

InChI

InChI=1S/C33H29N3O3S/c1-22-17-23(2)19-27(18-22)34-31(38)26-13-14-28-29(20-26)35-33(40-21-30(37)25-11-7-4-8-12-25)36(32(28)39)16-15-24-9-5-3-6-10-24/h3-14,17-20H,15-16,21H2,1-2H3,(H,34,38)