5-[[2-(butylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[[2-(butylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[2-(butylamino)-2-oxo-ethyl]sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[[2-(butylamino)-2-oxoethyl]thio]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[2-(butylamino)-2-oxoethyl]sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[[2-(butylamino)-2-keto-ethyl]thio]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSCC1=NN=C(S1)C(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCNC(=O)CSCC1=NN=C(S1)C(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22N4O3S2/c1-3-4-9-18-14(22)10-25-11-15-20-21-17(26-15)16(23)19-12-5-7-13(24-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,18,22)(H,19,23)