1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-methylphenyl)thiourea

Systemtic Name: 1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-methylphenyl)thiourea Openeye Name: 1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(o-tolyl)thiourea CAS Name: 1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-methylphenyl)thiourea IUPAC Name: 1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-methylphenyl)thiourea Traditional Name: 1-(9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(o-tolyl)thiourea Formula: C21H31N3S MolecularWeight: 357.55594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2CC3CCCC(C2)N3C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2CC3CCCC(C2)N3C4CCCC4

InChI

InChI=1S/C21H31N3S/c1-15-7-2-5-12-20(15)23-21(25)22-16-13-18-10-6-11-19(14-16)24(18)17-8-3-4-9-17/h2,5,7,12,16-19H,3-4,6,8-11,13-14H2,1H3,(H2,22,23,25)