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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-cyclohexyl-4-oxo-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3S/c35-28(23-12-6-2-7-13-23)21-38-31-33-27-20-24(29(36)32-19-18-22-10-4-1-5-11-22)16-17-26(27)30(37)34(31)25-14-8-3-9-15-25/h2,6-7,10,12-13,16-17,20,25H,1,3-5,8-9,11,14-15,18-19,21H2,(H,32,36)