N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxy-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxy-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxy-benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxybenzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxybenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxy-benzamide Formula: C24H30BrN3O4S MolecularWeight: 536.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C24H30BrN3O4S/c1-6-30-19-13-16(14-20(31-7-2)22(19)32-8-3)23(29)28(12-11-27(4)5)24-26-18-10-9-17(25)15-21(18)33-24/h9-10,13-15H,6-8,11-12H2,1-5H3