N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[3-(2-chlorophenyl)propanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[3-(2-chlorophenyl)propanoylthiocarbamoylamino]carbamoyl]phenyl]cyclohexanecarboxamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H27ClN4O3S/c25-20-9-5-4-6-16(20)12-15-21(30)27-24(33)29-28-23(32)18-10-13-19(14-11-18)26-22(31)17-7-2-1-3-8-17/h4-6,9-11,13-14,17H,1-3,7-8,12,15H2,(H,26,31)(H,28,32)(H2,27,29,30,33)