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

Systemtic Name: N-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(2-methoxyethyl)-4-oxo-3-phenethyl-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-(2-methoxyethyl)-2-[(4-methylphenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(2-methoxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-methoxyethyl)-2-[(4-methylbenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCCOC)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-20-8-10-22(11-9-20)19-35-28-30-25-18-23(26(32)29-15-17-34-2)12-13-24(25)27(33)31(28)16-14-21-6-4-3-5-7-21/h3-13,18H,14-17,19H2,1-2H3,(H,29,32)