N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-pentoxy-benzamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-pentoxybenzamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C25H33N3O3S/c1-5-7-8-17-31-20-11-9-19(10-12-20)24(29)28(16-15-27(3)4)25-26-22-14-13-21(30-6-2)18-23(22)32-25/h9-14,18H,5-8,15-17H2,1-4H3