N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S/c1-13-8-9-14(2)17(12-13)15(3)22-19(25)10-11-24-20(26)16-6-4-5-7-18(16)23-21(24)27/h4-9,12,15H,10-11H2,1-3H3,(H,22,25)(H,23,27)