N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C20H22IN3O3S2 MolecularWeight: 543.44145

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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=CC=C3I

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C20H22IN3O3S2/c21-18-8-4-3-7-17(18)19(25)23-20(28)22-15-9-11-16(12-10-15)29(26,27)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-14H2,(H2,22,23,25,28)