N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-3-(4-fluorophenyl)-2-thioxo-4-imidazoline-4-carboxamide Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CNC(=S)N2C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4OS/c1-3-26(4-2)15-17-8-6-5-7-16(17)13-24-21(28)20-14-25-22(29)27(20)19-11-9-18(23)10-12-19/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28)(H,25,29)