1-(3,5-dimethylphenyl)-3-(9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-(9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea Openeye Name: 1-(9-allyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-(9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-(9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea Traditional Name: 1-(9-allyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3,5-dimethylphenyl)thiourea Formula: C20H29N3S MolecularWeight: 343.52936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2CC3CCCC(C2)N3CC=C)C

InChI

InChI=1S/C20H29N3S/c1-4-8-23-18-6-5-7-19(23)13-17(12-18)22-20(24)21-16-10-14(2)9-15(3)11-16/h4,9-11,17-19H,1,5-8,12-13H2,2-3H3,(H2,21,22,24)