1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-cyclopropylcarbonylpiperidin-4-yl)urea

Systemtic Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(1-cyclopropylcarbonylpiperidin-4-yl)urea Openeye Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[1-(cyclopropanecarbonyl)-4-piperidyl]urea CAS Name: 1-[2-[(2-cyanophenyl)methylthio]ethyl]-3-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]urea IUPAC Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]urea Traditional Name: 1-[2-[(2-cyanobenzyl)thio]ethyl]-3-[1-(cyclopropanecarbonyl)-4-piperidyl]urea Formula: C20H26N4O2S MolecularWeight: 386.51104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(CC2)NC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC1C(=O)N2CCC(CC2)NC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H26N4O2S/c21-13-16-3-1-2-4-17(16)14-27-12-9-22-20(26)23-18-7-10-24(11-8-18)19(25)15-5-6-15/h1-4,15,18H,5-12,14H2,(H2,22,23,26)