N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-2-esyl-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=CC=C3S(=O)(=O)CC

InChI

InChI=1S/C23H29N3O3S2/c1-5-17-12-13-19-20(16-17)30-23(24-19)26(15-9-14-25(3)4)22(27)18-10-7-8-11-21(18)31(28,29)6-2/h7-8,10-13,16H,5-6,9,14-15H2,1-4H3