N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H33N3O3S2/c1-5-20-11-14-22-23(18-20)32-25(26-22)28(16-7-15-27(3)4)24(29)8-6-17-33(30,31)21-12-9-19(2)10-13-21/h9-14,18H,5-8,15-17H2,1-4H3