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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butyramide Formula: C24H31N3O2S2 MolecularWeight: 457.65184

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2S2/c1-4-29-19-13-14-21-22(18-19)31-24(25-21)27(16-9-15-26(2)3)23(28)12-8-17-30-20-10-6-5-7-11-20/h5-7,10-11,13-14,18H,4,8-9,12,15-17H2,1-3H3