tert-butyl 3-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenyl]carbonylamino]propanoate

Systemtic Name: tert-butyl 3-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenyl]carbonylamino]propanoate Openeye Name: tert-butyl 3-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoyl]amino]propanoate CAS Name: 3-[[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoyl]amino]propanoate Traditional Name: 3-[[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoyl]amino]propionic acid tert-butyl ester Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)C2=NN(C(=NC3CCCCC3)S2)C

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)C2=NN(C(=NC3CCCCC3)S2)C

InChI

InChI=1S/C23H32N4O3S/c1-23(2,3)30-19(28)14-15-24-20(29)16-10-12-17(13-11-16)21-26-27(4)22(31-21)25-18-8-6-5-7-9-18/h10-13,18H,5-9,14-15H2,1-4H3,(H,24,29)