ethyl N-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate

Systemtic Name: ethyl N-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]carbamate CAS Name: N-[2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]carbamic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H21N3O4S/c1-4-28-21(27)23-18(25)12-29-20-22-17-8-6-5-7-16(17)19(26)24(20)15-10-9-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3,(H,23,25,27)