2-ethylsulfanylethyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-dimethylaminophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-dimethylaminophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCSCCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H25N3O2S2/c1-5-25-11-10-23-17(22)15-12(2)19-18(24)20-16(15)13-6-8-14(9-7-13)21(3)4/h6-9,15-16H,2,5,10-11H2,1,3-4H3,(H2,19,20,24)/t15-,16+/m0/s1