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

Systemtic Name: N-cyclopentyl-2-[(3-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-isobutyl-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(3-methylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(3-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-isobutyl-4-keto-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC(C)C

InChI

InChI=1S/C26H31N3O2S/c1-17(2)15-29-25(31)22-12-11-20(24(30)27-21-9-4-5-10-21)14-23(22)28-26(29)32-16-19-8-6-7-18(3)13-19/h6-8,11-14,17,21H,4-5,9-10,15-16H2,1-3H3,(H,27,30)