1-phenethyl-3-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea

Systemtic Name: 1-phenethyl-3-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea Openeye Name: 1-phenethyl-3-[9-(2-thienylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea CAS Name: 1-phenethyl-3-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea IUPAC Name: 1-phenethyl-3-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea Traditional Name: 1-phenethyl-3-[9-(2-thenyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea Formula: C22H29N3S2 MolecularWeight: 399.61576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)N2CC3=CC=CS3)NC(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC2CC(CC(C1)N2CC3=CC=CS3)NC(=S)NCCC4=CC=CC=C4

InChI

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