ethyl 4-[[4-[2-(dimethylcarbamothioylsulfanyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[2-(dimethylcarbamothioylsulfanyl)ethanoylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[2-[[dimethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[2-(dimethylthiocarbamoylthio)acetyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H33N5O4S2 MolecularWeight: 459.62642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CSC(=S)N(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)CSC(=S)N(C)C

InChI

InChI=1S/C19H33N5O4S2/c1-4-28-17(27)24-11-5-14(6-12-24)21-16(26)19(7-9-20-10-8-19)22-15(25)13-30-18(29)23(2)3/h14,20H,4-13H2,1-3H3,(H,21,26)(H,22,25)