ethyl 4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-dimethylaminophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H21N3O2S/c1-5-21-15(20)13-10(2)17-16(22)18-14(13)11-6-8-12(9-7-11)19(3)4/h6-9,13-14H,2,5H2,1,3-4H3,(H2,17,18,22)