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

Systemtic Name: N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-(o-tolylmethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(2-methylphenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-4-keto-2-[(2-methylbenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C30H31N3O2S MolecularWeight: 497.65104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O2S/c1-21-9-5-6-12-24(21)20-36-30-32-27-19-23(28(34)31-25-13-7-8-14-25)15-16-26(27)29(35)33(30)18-17-22-10-3-2-4-11-22/h2-6,9-12,15-16,19,25H,7-8,13-14,17-18,20H2,1H3,(H,31,34)