3,3-dimethyl-N-[5-[2-oxidanylidene-2-(4-pentylphenyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 3,3-dimethyl-N-[5-[2-oxidanylidene-2-(4-pentylphenyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 3,3-dimethyl-N-[5-[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 3,3-dimethyl-N-[5-[[2-oxo-2-(4-pentylphenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 3,3-dimethyl-N-[5-[2-oxo-2-(4-pentylphenyl)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: N-[5-[[2-(4-amylphenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3,3-dimethyl-butyramide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C21H29N3O2S2/c1-5-6-7-8-15-9-11-16(12-10-15)17(25)14-27-20-24-23-19(28-20)22-18(26)13-21(2,3)4/h9-12H,5-8,13-14H2,1-4H3,(H,22,23,26)