2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cycloheptyl-benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-cycloheptyl-benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-cycloheptyl-benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-cycloheptylbenzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-cycloheptylbenzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-cycloheptyl-benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H25N3O2S/c24-15-17-8-7-11-19(14-17)25-22(27)16-29-21-13-6-5-12-20(21)23(28)26-18-9-3-1-2-4-10-18/h5-8,11-14,18H,1-4,9-10,16H2,(H,25,27)(H,26,28)