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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-(m-tolylmethylsulfanyl)-4-oxo-3-phenethyl-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(3-methylphenyl)methylthio]-4-oxo-3-phenethyl-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propylquinazoline-7-carboxamide Traditional Name: 4-keto-2-[(3-methylbenzyl)thio]-3-phenethyl-N-propyl-quinazoline-7-carboxamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-3-15-29-26(32)23-12-13-24-25(18-23)30-28(34-19-22-11-7-8-20(2)17-22)31(27(24)33)16-14-21-9-5-4-6-10-21/h4-13,17-18H,3,14-16,19H2,1-2H3,(H,29,32)