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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]butyramide Formula: C23H23ClN4O2S2 MolecularWeight: 487.03732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O2S2/c1-3-30-18-6-4-7-19-22(18)26-23(32-19)28-20(14-15(2)27-28)25-21(29)8-5-13-31-17-11-9-16(24)10-12-17/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3,(H,25,29)