N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C18H24N5O2S2+ MolecularWeight: 406.54546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H23N5O2S2/c1-13-6-5-7-14(10-13)19-16(25)12-26-18-22-21-17(27-18)20-15(24)11-23-8-3-2-4-9-23/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,19,25)(H,20,21,24)/p+1