2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[3-(pivaloylamino)phenyl]benzamide Formula: C27H35N3O3S MolecularWeight: 481.6501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C27H35N3O3S/c1-27(2,3)26(33)30-21-13-9-12-20(16-21)29-25(32)22-14-7-8-15-23(22)34-18-24(31)28-17-19-10-5-4-6-11-19/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)