ethyl 4-[[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C20H33N5O3S MolecularWeight: 423.57272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=NN=C(S2)N(C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCC(CC1)CNC(=O)NC2=NN=C(S2)N(C)C3CCCCC3

InChI

InChI=1S/C20H33N5O3S/c1-3-28-17(26)15-11-9-14(10-12-15)13-21-18(27)22-19-23-24-20(29-19)25(2)16-7-5-4-6-8-16/h14-16H,3-13H2,1-2H3,(H2,21,22,23,27)