tert-butyl 4-[4-[2-(cyclopropylcarbamothioylsulfanyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(cyclopropylcarbamothioylsulfanyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(cyclopropylcarbamothioylsulfanyl)ethylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-[[(cyclopropylamino)-sulfanylidenemethyl]thio]ethylamino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(cyclopropylcarbamothioylsulfanyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(cyclopropylthiocarbamoylthio)ethylcarbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O3S3 MolecularWeight: 470.6722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCCSC(=S)NC3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NCCSC(=S)NC3CC3

InChI

InChI=1S/C20H30N4O3S3/c1-20(2,3)27-19(26)24-9-6-13(7-10-24)17-23-15(12-30-17)16(25)21-8-11-29-18(28)22-14-4-5-14/h12-14H,4-11H2,1-3H3,(H,21,25)(H,22,28)