N-heptan-2-yl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-methylhexyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide CAS Name: N-heptan-2-yl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]acetamide IUPAC Name: N-heptan-2-yl-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1-methylhexyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetamide Formula: C17H23N3OS3 MolecularWeight: 381.57902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS3/c1-3-4-6-9-13(2)18-15(21)12-23-16-19-20(17(22)24-16)14-10-7-5-8-11-14/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3,(H,18,21)