N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-4-(phenylthio)butanamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-4-(phenylthio)butyramide Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S2/c1-3-29-18-11-7-12-19-22(18)25-23(31-19)27-20(15-16(2)26-27)24-21(28)13-8-14-30-17-9-5-4-6-10-17/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,24,28)