N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C22H24IN3O2S MolecularWeight: 521.41433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)I

InChI

InChI=1S/C22H24IN3O2S/c1-15-10-11-16(14-18(15)23)20(27)25-22(29)24-19-9-5-4-8-17(19)21(28)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H2,24,25,27,29)