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

Systemtic Name: ethyl 4-[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate CAS Name: 4-[[[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]carbamoylamino]benzoic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)N(C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)N(C)C3CCCCC3

InChI

InChI=1S/C19H25N5O3S/c1-3-27-16(25)13-9-11-14(12-10-13)20-17(26)21-18-22-23-19(28-18)24(2)15-7-5-4-6-8-15/h9-12,15H,3-8H2,1-2H3,(H2,20,21,22,26)