N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholinoethyl)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(methylthio)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(methylthio)-N-(2-morpholinoethyl)benzamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O2S2/c1-28-17-5-2-15(3-6-17)20(26)25(9-8-24-10-12-27-13-11-24)21-23-18-7-4-16(22)14-19(18)29-21/h2-7,14H,8-13H2,1H3