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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(3-morpholinopropyl)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(methylthio)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(methylthio)-N-(3-morpholinopropyl)benzamide Formula: C22H24BrN3O2S2 MolecularWeight: 506.47886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O2S2/c1-29-19-6-3-2-5-17(19)21(27)26(10-4-9-25-11-13-28-14-12-25)22-24-18-8-7-16(23)15-20(18)30-22/h2-3,5-8,15H,4,9-14H2,1H3