methyl 2-[(3,5-dimethylpiperidin-1-yl)carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O2S2/c1-14-9-15(2)13-23(12-14)21(26)22-19-18(20(24)25-3)11-17(27-19)10-16-7-5-4-6-8-16/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,22,26)