1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-cyclopentyl-3-(3,5-dimethylphenyl)-1-piperonyl-thiourea Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)C

InChI

InChI=1S/C22H26N2O2S/c1-15-9-16(2)11-18(10-15)23-22(27)24(19-5-3-4-6-19)13-17-7-8-20-21(12-17)26-14-25-20/h7-12,19H,3-6,13-14H2,1-2H3,(H,23,27)