N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C20H22FN3O3S2 MolecularWeight: 435.535383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3O3S2/c21-16-7-5-15(6-8-16)19(25)23-20(28)22-17-9-11-18(12-10-17)29(26,27)24-13-3-1-2-4-14-24/h5-12H,1-4,13-14H2,(H2,22,23,25,28)