N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C16H21N4O2S2+ MolecularWeight: 365.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C16H20N4O2S2/c1-2-23-16-19-18-15(24-16)17-14(21)13-5-3-12(4-6-13)11-20-7-9-22-10-8-20/h3-6H,2,7-11H2,1H3,(H,17,18,21)/p+1