N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-esyl-benzamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N(CCCN(C)C)C2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C23H29N3O3S2/c1-6-31(28,29)19-10-8-18(9-11-19)22(27)26(13-7-12-25(4)5)23-24-21-17(3)14-16(2)15-20(21)30-23/h8-11,14-15H,6-7,12-13H2,1-5H3