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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(methylthio)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(methylthio)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S2/c1-27-17-8-6-16(7-9-17)20(25)24(11-10-23-12-14-26-15-13-23)21-22-18-4-2-3-5-19(18)28-21/h2-9H,10-15H2,1H3/p+1