5-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-N-(o-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[2-(isoamylamino)-2-keto-ethyl]thio]-N-(o-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)SCC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=NN=C(S2)SCC(=O)NCCC(C)C

InChI

InChI=1S/C17H22N4O2S2/c1-11(2)8-9-18-14(22)10-24-17-21-20-16(25-17)15(23)19-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,18,22)(H,19,23)