1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-cyclopentyl-3-(2,3-dimethylphenyl)-1-piperonyl-thiourea Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S/c1-15-6-5-9-19(16(15)2)23-22(27)24(18-7-3-4-8-18)13-17-10-11-20-21(12-17)26-14-25-20/h5-6,9-12,18H,3-4,7-8,13-14H2,1-2H3,(H,23,27)