N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(p-tolylthio)propionamide Formula: C21H24BrN3OS2 MolecularWeight: 478.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3OS2/c1-15-4-7-17(8-5-15)27-13-10-20(26)25(12-11-24(2)3)21-23-18-9-6-16(22)14-19(18)28-21/h4-9,14H,10-13H2,1-3H3