N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-[2-(1-pyrazolyl)ethyl]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyrazol-1-ylethyl)butyramide Formula: C22H21FN4OS2 MolecularWeight: 440.556743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4OS2/c23-17-8-10-18(11-9-17)29-16-3-7-21(28)27(15-14-26-13-4-12-24-26)22-25-19-5-1-2-6-20(19)30-22/h1-2,4-6,8-13H,3,7,14-16H2