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

Systemtic Name: methyl 2-[[(3S)-3-methylpiperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(3S)-3-methylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3S)-3-methyl-1-piperidinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3S)-3-methylpiperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(3S)-3-methylpiperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S2/c1-13-7-6-10-21(12-13)19(24)20-17-15(18(22)23-2)11-16(25-17)14-8-4-3-5-9-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3,(H,20,24)/t13-/m0/s1