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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-mesyl-benzamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-15-10-11-19-20(16(15)2)23-22(29-19)25(13-7-12-24(3)4)21(26)17-8-6-9-18(14-17)30(5,27)28/h6,8-11,14H,7,12-13H2,1-5H3