ethyl 3-[[2-(1,3-thiazol-4-ylmethylamino)pyridin-3-yl]carbamothioylamino]pyrrolidine-1-carboxylate

Systemtic Name: ethyl 3-[[2-(1,3-thiazol-4-ylmethylamino)pyridin-3-yl]carbamothioylamino]pyrrolidine-1-carboxylate Openeye Name: ethyl 3-[[2-(thiazol-4-ylmethylamino)-3-pyridyl]carbamothioylamino]pyrrolidine-1-carboxylate CAS Name: 3-[[sulfanylidene-[[2-(4-thiazolylmethylamino)-3-pyridinyl]amino]methyl]amino]-1-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-thiazol-4-ylmethylamino)pyridin-3-yl]carbamothioylamino]pyrrolidine-1-carboxylate Traditional Name: 3-[[2-(thiazol-4-ylmethylamino)-3-pyridyl]thiocarbamoylamino]pyrrolidine-1-carboxylic acid ethyl ester Formula: C17H22N6O2S2 MolecularWeight: 406.52558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C1)NC(=S)NC2=C(N=CC=C2)NCC3=CSC=N3

Isomeric SMILES

CCOC(=O)N1CCC(C1)NC(=S)NC2=C(N=CC=C2)NCC3=CSC=N3

InChI

InChI=1S/C17H22N6O2S2/c1-2-25-17(24)23-7-5-12(9-23)21-16(26)22-14-4-3-6-18-15(14)19-8-13-10-27-11-20-13/h3-4,6,10-12H,2,5,7-9H2,1H3,(H,18,19)(H2,21,22,26)