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

Systemtic Name: N-cyclohexyl-N-methyl-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-cyclohexyl-N-methyl-benzamide CAS Name: N-cyclohexyl-N-methyl-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-cyclohexyl-N-methylbenzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-cyclohexyl-N-methyl-benzamide Formula: C23H25N3OS3 MolecularWeight: 455.6591

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS3/c1-25(19-10-6-3-7-11-19)21(27)18-12-14-20(15-13-18)26-23(28)30-22(24-26)29-16-17-8-4-2-5-9-17/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16H2,1H3