4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-(1-thiophen-2-ylethyl)benzamide

Systemtic Name: 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-(1-thiophen-2-ylethyl)benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-[1-(2-thienyl)ethyl]benzamide CAS Name: 4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-(1-thiophen-2-ylethyl)benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(1-thiophen-2-ylethyl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-[1-(2-thienyl)ethyl]benzamide Formula: C22H19N3OS4 MolecularWeight: 469.66576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3OS4/c1-15(19-8-5-13-28-19)23-20(26)17-9-11-18(12-10-17)25-22(27)30-21(24-25)29-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,26)