2-(2-chloranylphenoxy)-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]propanamide

Systemtic Name: 2-(2-chloranylphenoxy)-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]propanamide Openeye Name: 2-(2-chlorophenoxy)-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]propanamide CAS Name: 2-(2-chlorophenoxy)-N-[4-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: 2-(2-chlorophenoxy)-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]propanamide Traditional Name: 2-(2-chlorophenoxy)-N-[4-(3-cyclohexylpropanoylthiocarbamoylamino)phenyl]propionamide Formula: C25H30ClN3O3S MolecularWeight: 488.042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C25H30ClN3O3S/c1-17(32-22-10-6-5-9-21(22)26)24(31)27-19-12-14-20(15-13-19)28-25(33)29-23(30)16-11-18-7-3-2-4-8-18/h5-6,9-10,12-15,17-18H,2-4,7-8,11,16H2,1H3,(H,27,31)(H2,28,29,30,33)