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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(C=CC=C3S2)OCC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(C=CC=C3S2)OCC

InChI

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