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

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(3-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(3-isoamoxybenzoyl)thiocarbamoylamino]benzamide Formula: C26H32ClN3O3S MolecularWeight: 502.06858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O3S/c1-17(2)13-14-33-21-10-6-7-18(15-21)24(31)30-26(34)29-20-11-12-23(27)22(16-20)25(32)28-19-8-4-3-5-9-19/h6-7,10-12,15-17,19H,3-5,8-9,13-14H2,1-2H3,(H,28,32)(H2,29,30,31,34)