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

Systemtic Name: phenethyl 4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-15-19(21(26)27-14-13-16-7-5-4-6-8-16)20(24-22(28)23-15)17-9-11-18(12-10-17)25(2)3/h4-12,19-20H,1,13-14H2,2-3H3,(H2,23,24,28)