3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(2-furylmethyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(2-furanylmethyl)-4-oxo-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(2-furfuryl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S/c32-25(19-8-3-1-4-9-19)18-36-28-30-24-16-20(26(33)29-17-22-12-7-15-35-22)13-14-23(24)27(34)31(28)21-10-5-2-6-11-21/h1,3-4,7-9,12-16,21H,2,5-6,10-11,17-18H2,(H,29,33)