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

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[2-(o-tolyl)ethyl]propanamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(o-tolyl)ethyl]propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C20H20ClN3O2S/c1-13-4-2-3-5-14(13)8-10-22-18(25)9-11-24-19(26)16-7-6-15(21)12-17(16)23-20(24)27/h2-7,12H,8-11H2,1H3,(H,22,25)(H,23,27)