4-butyl-N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[5-(p-tolylmethylsulfonyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[5-[(4-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[5-(4-methylbenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H29N3O3S2/c1-3-4-5-16-10-12-18(13-11-16)19(25)22-20-23-24-21(28-20)29(26,27)14-17-8-6-15(2)7-9-17/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,22,23,25)