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

Systemtic Name: N-cyclopentyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-cyclopentyl-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(4-methylphenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-cyclopentyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-cyclopentyl-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S/c1-20-11-13-22(14-12-20)19-35-29-31-26-17-23(27(33)30-24-9-5-6-10-24)15-16-25(26)28(34)32(29)18-21-7-3-2-4-8-21/h2-4,7-8,11-17,24H,5-6,9-10,18-19H2,1H3,(H,30,33)