N-(4-fluorophenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[[2-(methylthio)anilino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(2-methylsulfanylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[[2-(methylthio)phenyl]thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C21H25FN4OS2 MolecularWeight: 432.577803

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4OS2/c1-29-19-6-3-2-5-18(19)24-21(28)26-12-4-11-25(13-14-26)15-20(27)23-17-9-7-16(22)8-10-17/h2-3,5-10H,4,11-15H2,1H3,(H,23,27)(H,24,28)