3-cyclohexyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(2-furylmethyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(2-furanylmethyl)-2-[(4-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(2-furfuryl)-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2C5CCCCC5

InChI

InChI=1S/C28H29N3O3S/c1-19-9-11-20(12-10-19)18-35-28-30-25-16-21(26(32)29-17-23-8-5-15-34-23)13-14-24(25)27(33)31(28)22-6-3-2-4-7-22/h5,8-16,22H,2-4,6-7,17-18H2,1H3,(H,29,32)