N-cyclohexyl-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: N-cyclohexyl-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-cyclohexyl-4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-cyclohexyl-4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-cyclohexyl-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-2-3-10-17-31-27(34)23-16-15-21(26(33)29-22-13-8-5-9-14-22)18-24(23)30-28(31)35-19-25(32)20-11-6-4-7-12-20/h4,6-7,11-12,15-16,18,22H,2-3,5,8-10,13-14,17,19H2,1H3,(H,29,33)