2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-4-oxo-N-propyl-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 2-[(4-methylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-2-[(4-methylbenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-3-15-28-25(31)22-13-14-23-24(16-22)29-27(33-18-21-11-9-19(2)10-12-21)30(26(23)32)17-20-7-5-4-6-8-20/h4-14,16H,3,15,17-18H2,1-2H3,(H,28,31)