N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22ClN3O4S/c24-14-6-8-17-18(10-14)26-23(27(22(17)29)16-4-2-1-3-5-16)32-12-21(28)25-15-7-9-19-20(11-15)31-13-30-19/h6-11,16H,1-5,12-13H2,(H,25,28)