methyl 5-methyl-2-[[(3R)-3-methylpiperidin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[(3R)-3-methylpiperidin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(3R)-3-methyl-1-piperidinyl]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O2S2/c1-13-8-7-11-22(12-13)20(25)21-18-17(19(23)24-3)16(14(2)26-18)15-9-5-4-6-10-15/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H,21,25)/t13-/m1/s1