4-(4-fluorophenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C26H26FN3OS2 MolecularWeight: 479.632543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3OS2/c1-18(2)22-7-3-8-23-25(22)29-26(33-23)30(17-19-6-4-14-28-16-19)24(31)9-5-15-32-21-12-10-20(27)11-13-21/h3-4,6-8,10-14,16,18H,5,9,15,17H2,1-2H3