ethyl 1-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-methoxycarbonyl-5-phenyl-2-thienyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(3-methoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-methoxycarbonyl-5-phenylthiophen-2-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-carbomethoxy-5-phenyl-2-thienyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O4S2/c1-3-27-19(24)15-9-11-23(12-10-15)21(28)22-18-16(20(25)26-2)13-17(29-18)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,22,28)