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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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