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

Systemtic Name: 5-[(5-bromanyl-2-butoxy-phenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 5-[(5-bromo-2-butoxy-benzoyl)carbamothioylamino]-2-chloro-N-cyclohexyl-benzamide CAS Name: 5-[[[[(5-bromo-2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[(5-bromo-2-butoxybenzoyl)carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 5-[(5-bromo-2-butoxy-benzoyl)thiocarbamoylamino]-2-chloro-N-cyclohexyl-benzamide Formula: C25H29BrClN3O3S MolecularWeight: 566.93806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H29BrClN3O3S/c1-2-3-13-33-22-12-9-16(26)14-20(22)24(32)30-25(34)29-18-10-11-21(27)19(15-18)23(31)28-17-7-5-4-6-8-17/h9-12,14-15,17H,2-8,13H2,1H3,(H,28,31)(H2,29,30,32,34)