[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-butylcyclohexane-1-carboxylate

Systemtic Name: [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-butylcyclohexane-1-carboxylate Openeye Name: [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [5-[(4-methoxyanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester IUPAC Name: [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-3-4-5-15-6-8-16(9-7-15)22(27)29-14-19-24-25-21(30-19)20(26)23-17-10-12-18(28-2)13-11-17/h10-13,15-16H,3-9,14H2,1-2H3,(H,23,26)