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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S2/c1-3-4-7-16-9-11-18(12-10-16)19(25)22-20-23-24-21(28-20)29(26,27)14-17-8-5-6-15(2)13-17/h5-6,8,13,16,18H,3-4,7,9-12,14H2,1-2H3,(H,22,23,25)