ethyl 2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(3S,5S)-3,5-dimethylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3S,5S)-3,5-dimethyl-1-piperidinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3S,5S)-3,5-dimethylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(3S,5S)-3,5-dimethylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3C[C@H](C[C@@H](C3)C)C

InChI

InChI=1S/C21H26N2O2S2/c1-4-25-20(24)17-11-18(16-8-6-5-7-9-16)27-19(17)22-21(26)23-12-14(2)10-15(3)13-23/h5-9,11,14-15H,4,10,12-13H2,1-3H3,(H,22,26)/t14-,15-/m0/s1