ethyl 4-[2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[cyclohexyl(2-thienylmethyl)carbamothioyl]amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[cyclohexyl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[cyclohexyl(2-thenyl)thiocarbamoyl]amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H32N4O3S2 MolecularWeight: 452.63378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC(=S)N(CC2=CC=CS2)C3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC(=S)N(CC2=CC=CS2)C3CCCCC3

InChI

InChI=1S/C21H32N4O3S2/c1-2-28-21(27)24-12-10-23(11-13-24)19(26)15-22-20(29)25(16-18-9-6-14-30-18)17-7-4-3-5-8-17/h6,9,14,17H,2-5,7-8,10-13,15-16H2,1H3,(H,22,29)