N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-benzamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-benzamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonyl-benzamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonylbenzamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-ethylsulfonylbenzamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-esyl-benzamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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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(C=CC(=C3S2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-6-33(28,29)17-10-7-9-16(15-17)22(27)26(14-8-13-25(2)3)23-24-20-18(30-4)11-12-19(31-5)21(20)32-23/h7,9-12,15H,6,8,13-14H2,1-5H3