2-chloranyl-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-(hydrocinnamoylthiocarbamoylamino)benzamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H26ClN3O2S/c24-20-13-12-18(15-19(20)22(29)25-17-9-5-2-6-10-17)26-23(30)27-21(28)14-11-16-7-3-1-4-8-16/h1,3-4,7-8,12-13,15,17H,2,5-6,9-11,14H2,(H,25,29)(H2,26,27,28,30)