1-methyl-3-(2-phenylsulfanylethyl)-1-[(2-piperidin-1-ylphenyl)methyl]thiourea

Systemtic Name: 1-methyl-3-(2-phenylsulfanylethyl)-1-[(2-piperidin-1-ylphenyl)methyl]thiourea Openeye Name: 1-methyl-3-(2-phenylsulfanylethyl)-1-[[2-(1-piperidyl)phenyl]methyl]thiourea CAS Name: 1-methyl-3-[2-(phenylthio)ethyl]-1-[[2-(1-piperidinyl)phenyl]methyl]thiourea IUPAC Name: 1-methyl-3-(2-phenylsulfanylethyl)-1-[(2-piperidin-1-ylphenyl)methyl]thiourea Traditional Name: 1-methyl-3-[2-(phenylthio)ethyl]-1-(2-piperidinobenzyl)thiourea Formula: C22H29N3S2 MolecularWeight: 399.61576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H29N3S2/c1-24(22(26)23-14-17-27-20-11-4-2-5-12-20)18-19-10-6-7-13-21(19)25-15-8-3-9-16-25/h2,4-7,10-13H,3,8-9,14-18H2,1H3,(H,23,26)