N-(3-chloranyl-2-methyl-phenyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(3-chloro-2-methylphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H22ClN3O2S/c1-14-16(22)9-7-11-17(14)23-19(26)12-3-2-6-13-25-20(27)15-8-4-5-10-18(15)24-21(25)28/h4-5,7-11H,2-3,6,12-13H2,1H3,(H,23,26)(H,24,28)