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

Systemtic Name: N-cyclopentyl-4-oxidanylidene-3-(phenylmethyl)-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-benzylsulfanyl-N-cyclopentyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-4-oxo-3-(phenylmethyl)-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-benzylsulfanyl-N-cyclopentyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(benzylthio)-N-cyclopentyl-4-keto-quinazoline-7-carboxamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2S/c32-26(29-23-13-7-8-14-23)22-15-16-24-25(17-22)30-28(34-19-21-11-5-2-6-12-21)31(27(24)33)18-20-9-3-1-4-10-20/h1-6,9-12,15-17,23H,7-8,13-14,18-19H2,(H,29,32)