N-(6-butylsulfanyl-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-fluoranyl-benzamide

Systemtic Name: N-(6-butylsulfanyl-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-fluoranyl-benzamide Openeye Name: N-(6-butylsulfanyl-1,3-dimethyl-2-oxo-benzimidazol-5-yl)-3-fluoro-benzamide CAS Name: N-[6-(butylthio)-1,3-dimethyl-2-oxo-5-benzimidazolyl]-3-fluorobenzamide IUPAC Name: N-(6-butylsulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-fluorobenzamide Traditional Name: N-[6-(butylthio)-2-keto-1,3-dimethyl-benzimidazol-5-yl]-3-fluoro-benzamide Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C2C(=C1)N(C(=O)N2C)C)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCSC1=C(C=C2C(=C1)N(C(=O)N2C)C)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O2S/c1-4-5-9-27-18-12-17-16(23(2)20(26)24(17)3)11-15(18)22-19(25)13-7-6-8-14(21)10-13/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,25)