methyl 2-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(2S,6S)-2,6-dimethylpiperidine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(2S,6S)-2,6-dimethyl-1-piperidinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S,6S)-2,6-dimethylpiperidine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S,6S)-2,6-dimethylpiperidine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O2S2/c1-13-9-8-10-14(2)23(13)21(26)22-19-18(20(24)25-4)17(15(3)27-19)16-11-6-5-7-12-16/h5-7,11-14H,8-10H2,1-4H3,(H,22,26)/t13-,14-/m0/s1