3-cyclohexyl-N,N-diethyl-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N,N-diethyl-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N,N-diethyl-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N,N-diethyl-4-oxo-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N,N-diethyl-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N,N-diethyl-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H31N3O3S/c1-3-29(4-2)25(32)20-15-16-22-23(17-20)28-27(30(26(22)33)21-13-9-6-10-14-21)34-18-24(31)19-11-7-5-8-12-19/h5,7-8,11-12,15-17,21H,3-4,6,9-10,13-14,18H2,1-2H3