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

Systemtic Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-[3-(dimethylamino)propyl]-3-esyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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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=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)C

InChI

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