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

Systemtic Name: butyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S/c1-5-6-11-23-17(22)15-12(2)19-18(24)20-16(15)13-7-9-14(10-8-13)21(3)4/h7-10,15-16H,2,5-6,11H2,1,3-4H3,(H2,19,20,24)/t15-,16+/m0/s1