2-methyl-N-[5-(4-methyloctan-4-yl)-1,3,4-thiadiazol-2-yl]-6-methylsulfanyl-benzenecarbothioamide

Systemtic Name: 2-methyl-N-[5-(4-methyloctan-4-yl)-1,3,4-thiadiazol-2-yl]-6-methylsulfanyl-benzenecarbothioamide Openeye Name: 2-methyl-N-[5-(1-methyl-1-propyl-pentyl)-1,3,4-thiadiazol-2-yl]-6-methylsulfanyl-benzenecarbothioamide CAS Name: 2-methyl-N-[5-(4-methyloctan-4-yl)-1,3,4-thiadiazol-2-yl]-6-(methylthio)benzenecarbothioamide IUPAC Name: 2-methyl-N-[5-(4-methyloctan-4-yl)-1,3,4-thiadiazol-2-yl]-6-methylsulfanylbenzenecarbothioamide Traditional Name: 2-methyl-N-[5-(1-methyl-1-propyl-pentyl)-1,3,4-thiadiazol-2-yl]-6-(methylthio)thiobenzamide Formula: C20H29N3S3 MolecularWeight: 407.65936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CCC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2SC)C

Isomeric SMILES

CCCCC(C)(CCC)C1=NN=C(S1)NC(=S)C2=C(C=CC=C2SC)C

InChI

InChI=1S/C20H29N3S3/c1-6-8-13-20(4,12-7-2)18-22-23-19(26-18)21-17(24)16-14(3)10-9-11-15(16)25-5/h9-11H,6-8,12-13H2,1-5H3,(H,21,23,24)