N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-ethylsulfanyl-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-ethylsulfanyl-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-ethylsulfanyl-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(ethylthio)benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-ethylsulfanylbenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(ethylthio)benzamide Formula: C20H22BrN3OS2 MolecularWeight: 464.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3OS2/c1-4-26-16-8-5-14(6-9-16)19(25)24(12-11-23(2)3)20-22-17-10-7-15(21)13-18(17)27-20/h5-10,13H,4,11-12H2,1-3H3