N-heptan-2-yl-2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-isopropylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(1-methylhexyl)acetamide Formula: C21H31N3OS3 MolecularWeight: 437.68534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H31N3OS3/c1-5-6-7-8-16(4)22-19(25)14-27-21-24-23-20(28-21)26-13-17-9-11-18(12-10-17)15(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,25)