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

Systemtic Name: ethyl 2-[(3,5-dimethylpiperidin-1-yl)carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3,5-dimethylpiperidine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dimethylpiperidine-1-carbothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3,5-dimethylpiperidine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CC(CC(C3)C)C

InChI

InChI=1S/C22H28N2O2S2/c1-5-26-21(25)19-18(17-9-7-6-8-10-17)16(4)28-20(19)23-22(27)24-12-14(2)11-15(3)13-24/h6-10,14-15H,5,11-13H2,1-4H3,(H,23,27)