N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Formula: C19H22N3O2S3+ MolecularWeight: 420.59188

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O2S3/c1-25-14-4-2-5-15-17(14)20-19(27-15)22(18(23)16-6-3-13-26-16)8-7-21-9-11-24-12-10-21/h2-6,13H,7-12H2,1H3/p+1