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

Systemtic Name: ethyl 5-methyl-2-[(1-methylpiperidin-4-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(1-methyl-4-piperidyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(1-methylpiperidin-4-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methyl-4-piperidyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCN(CC3)C

InChI

InChI=1S/C21H27N3O2S2/c1-4-26-20(25)18-17(15-8-6-5-7-9-15)14(2)28-19(18)23-21(27)22-16-10-12-24(3)13-11-16/h5-9,16H,4,10-13H2,1-3H3,(H2,22,23,27)