tert-butyl 3-[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28N6O3S2 MolecularWeight: 464.60472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)C3=NNC(=S)N3CC=C

InChI

InChI=1S/C20H28N6O3S2/c1-6-9-26-15(23-24-18(26)30)14-12(2)21-17(31-14)22-16(27)13-8-7-10-25(11-13)19(28)29-20(3,4)5/h6,13H,1,7-11H2,2-5H3,(H,24,30)(H,21,22,27)