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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C22H24IN3O3S MolecularWeight: 537.41373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3)I

InChI

InChI=1S/C22H24IN3O3S/c1-29-19-11-8-16(14-18(19)23)20(27)25-22(30)24-17-9-6-15(7-10-17)21(28)26-12-4-2-3-5-13-26/h6-11,14H,2-5,12-13H2,1H3,(H2,24,25,27,30)