ethyl 1-[[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidine-4-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinane-4-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidine-4-carbonyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CC(NC(=S)N2)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@@H]2C[C@H](NC(=S)N2)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O3S/c1-3-29-21(28)23(11-7-10-18-8-5-4-6-9-18)12-14-26(15-13-23)20(27)19-16-17(2)24-22(30)25-19/h4-6,8-9,17,19H,3,7,10-16H2,1-2H3,(H2,24,25,30)/t17-,19+/m1/s1