2-bromanyl-N-(6-butoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-benzamide

Systemtic Name: 2-bromanyl-N-(6-butoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-benzamide Openeye Name: 2-bromo-N-(6-butoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-benzamide CAS Name: 2-bromo-N-(6-butoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide IUPAC Name: 2-bromo-N-(6-butoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide Traditional Name: 2-bromo-N-(6-butoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-benzamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC

InChI

InChI=1S/C21H23BrN2O5S/c1-5-6-9-29-12-7-8-14-16(10-12)30-21(23-14)24-20(25)13-11-15(26-2)18(27-3)19(28-4)17(13)22/h7-8,10-11H,5-6,9H2,1-4H3,(H,23,24,25)