N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide

Systemtic Name: N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide Openeye Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide CAS Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide IUPAC Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide Traditional Name: 3-amoxy-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC

InChI

InChI=1S/C21H23BrN2O2S/c1-3-5-6-12-26-17-9-7-8-15(13-17)20(25)23-21-24(4-2)18-11-10-16(22)14-19(18)27-21/h7-11,13-14H,3-6,12H2,1-2H3