N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-esyl-benzamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=CC(=C3C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=CC(=C3C)C

InChI

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