3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(4-methylphenyl)propyl]propanamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(4-methylphenyl)propyl]propanamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[1-(p-tolyl)propyl]propanamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(4-methylphenyl)propyl]propanamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(4-methylphenyl)propyl]propanamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[1-(p-tolyl)propyl]propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

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