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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C25H33N3O2S2 MolecularWeight: 471.67842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C25H33N3O2S2/c1-5-30-20-11-14-22-23(18-20)32-25(26-22)28(16-7-15-27(3)4)24(29)8-6-17-31-21-12-9-19(2)10-13-21/h9-14,18H,5-8,15-17H2,1-4H3