N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(p-tolylthio)acetamide Formula: C21H24BrN3OS2 MolecularWeight: 478.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3OS2/c1-15-5-8-17(9-6-15)27-14-20(26)25(12-4-11-24(2)3)21-23-18-10-7-16(22)13-19(18)28-21/h5-10,13H,4,11-12,14H2,1-3H3