5-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide

Systemtic Name: 5-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 5-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]-2-chloro-N-cyclohexyl-benzamide CAS Name: 5-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 5-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]-2-chloro-N-cyclohexyl-benzamide Formula: C22H23BrClN3O3S MolecularWeight: 524.85832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrClN3O3S/c1-30-19-10-7-13(23)11-17(19)21(29)27-22(31)26-15-8-9-18(24)16(12-15)20(28)25-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,25,28)(H2,26,27,29,31)