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

Systemtic Name: ethyl 2-[(1-methylpiperidin-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-methyl-4-piperidyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-methylpiperidin-4-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-methyl-4-piperidyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-3-25-19(24)16-13-17(14-7-5-4-6-8-14)27-18(16)22-20(26)21-15-9-11-23(2)12-10-15/h4-8,13,15H,3,9-12H2,1-2H3,(H2,21,22,26)