N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3S/c1-2-3-10-19-33-29(36)25-16-15-24(28(35)31-18-17-22-11-6-4-7-12-22)20-26(25)32-30(33)37-21-27(34)23-13-8-5-9-14-23/h5,8-9,11,13-16,20H,2-4,6-7,10,12,17-19,21H2,1H3,(H,31,35)