N-[1-(4-isothiocyanatophenyl)ethyl]-4-(1-piperidin-1-ylcyclohexyl)benzamide

Systemtic Name: N-[1-(4-isothiocyanatophenyl)ethyl]-4-(1-piperidin-1-ylcyclohexyl)benzamide Openeye Name: N-[1-(4-isothiocyanatophenyl)ethyl]-4-[1-(1-piperidyl)cyclohexyl]benzamide CAS Name: N-[1-(4-isothiocyanatophenyl)ethyl]-4-[1-(1-piperidinyl)cyclohexyl]benzamide IUPAC Name: N-[1-(4-isothiocyanatophenyl)ethyl]-4-(1-piperidin-1-ylcyclohexyl)benzamide Traditional Name: N-[1-(4-isothiocyanatophenyl)ethyl]-4-(1-piperidinocyclohexyl)benzamide Formula: C27H33N3OS MolecularWeight: 447.63542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N=C=S)NC(=O)C2=CC=C(C=C2)C3(CCCCC3)N4CCCCC4

Isomeric SMILES

CC(C1=CC=C(C=C1)N=C=S)NC(=O)C2=CC=C(C=C2)C3(CCCCC3)N4CCCCC4

InChI

InChI=1S/C27H33N3OS/c1-21(22-10-14-25(15-11-22)28-20-32)29-26(31)23-8-12-24(13-9-23)27(16-4-2-5-17-27)30-18-6-3-7-19-30/h8-15,21H,2-7,16-19H2,1H3,(H,29,31)