N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(cyclohexylcarbamoylamino)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(cyclohexylcarbamoylamino)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(cyclohexylcarbamoylamino)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[[(cyclohexylamino)-oxomethyl]amino]propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(cyclohexylcarbamoylamino)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(cyclohexylcarbamoylamino)propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H28N4O2S/c21-14-16-6-4-5-7-17(16)15-27-13-12-22-19(25)10-11-23-20(26)24-18-8-2-1-3-9-18/h4-7,18H,1-3,8-13,15H2,(H,22,25)(H2,23,24,26)