N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanyl-butanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylthio)butanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-phenylsulfanylbutanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(phenylthio)butyramide Formula: C21H24BrN3OS2 MolecularWeight: 478.46876

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3OS2/c1-24(2)12-13-25(21-23-18-11-10-16(22)15-19(18)28-21)20(26)9-6-14-27-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3