N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C22H23ClIN3O3S MolecularWeight: 571.85879

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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)Cl)C(=O)NC3CCCCC3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)I

InChI

InChI=1S/C22H23ClIN3O3S/c1-30-19-10-7-13(11-18(19)24)20(28)27-22(31)26-15-8-9-17(23)16(12-15)21(29)25-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,25,29)(H2,26,27,28,31)