1-(2-phenylsulfanylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-phenylsulfanylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-phenylsulfanylethyl)-3-[[4-(1-piperidylmethyl)phenyl]methyl]thiourea CAS Name: 1-[2-(phenylthio)ethyl]-3-[[4-(1-piperidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-phenylsulfanylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-(phenylthio)ethyl]-3-[4-(piperidinomethyl)benzyl]thiourea Formula: C22H29N3S2 MolecularWeight: 399.61576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H29N3S2/c26-22(23-13-16-27-21-7-3-1-4-8-21)24-17-19-9-11-20(12-10-19)18-25-14-5-2-6-15-25/h1,3-4,7-12H,2,5-6,13-18H2,(H2,23,24,26)