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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-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=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)CCCSC3=CC=CC=C3

InChI

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