5-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide

Systemtic Name: 5-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 5-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioylamino]-2-chloro-N-cyclohexyl-benzamide CAS Name: 5-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 5-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoylamino]-2-chloro-N-cyclohexyl-benzamide Formula: C26H31BrClN3O3S MolecularWeight: 580.96464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C26H31BrClN3O3S/c1-16(2)12-13-34-23-11-8-17(27)14-21(23)25(33)31-26(35)30-19-9-10-22(28)20(15-19)24(32)29-18-6-4-3-5-7-18/h8-11,14-16,18H,3-7,12-13H2,1-2H3,(H,29,32)(H2,30,31,33,35)