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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5=CC=CC=C5

InChI

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