N-methyl-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C33H29N3O3S/c1-35(22-25-13-7-3-8-14-25)31(38)27-17-18-28-29(21-27)34-33(40-23-30(37)26-15-9-4-10-16-26)36(32(28)39)20-19-24-11-5-2-6-12-24/h2-18,21H,19-20,22-23H2,1H3