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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-isobutyl-2-(o-tolylmethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2-methylphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-isobutyl-4-keto-2-[(2-methylbenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NCC(C)C)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-20(2)18-30-27(33)23-13-14-25-26(17-23)31-29(35-19-24-12-8-7-9-21(24)3)32(28(25)34)16-15-22-10-5-4-6-11-22/h4-14,17,20H,15-16,18-19H2,1-3H3,(H,30,33)