N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-(2-furylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1-cyclohexenyl)-N-(2-furanylmethyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(cyclohexen-1-yl)-N-(2-furfuryl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CC3=CC=CO3)C4=CCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CC3=CC=CO3)C4=CCCCC4

InChI

InChI=1S/C22H23N3O2S/c1-16-23-20-12-6-5-11-19(20)22(24-16)28-15-21(26)25(14-18-10-7-13-27-18)17-8-3-2-4-9-17/h5-8,10-13H,2-4,9,14-15H2,1H3