N-cyclopentyl-3-(4-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-3-(4-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(4-methoxyphenyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-cyclopentyl-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N-cyclopentyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c1-34-23-14-12-22(13-15-23)31-27(33)24-16-11-20(26(32)29-21-9-5-6-10-21)17-25(24)30-28(31)35-18-19-7-3-2-4-8-19/h2-4,7-8,11-17,21H,5-6,9-10,18H2,1H3,(H,29,32)