methyl 4-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC3CCCCC3

InChI

InChI=1S/C18H22N4O3S2/c1-25-16(24)12-7-9-14(10-8-12)19-15(23)11-26-18-22-21-17(27-18)20-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,23)(H,20,21)