1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(p-tolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methylphenyl)thiourea Traditional Name: 1-cyclopentyl-1-piperonyl-3-(p-tolyl)thiourea Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-15-6-9-17(10-7-15)22-21(26)23(18-4-2-3-5-18)13-16-8-11-19-20(12-16)25-14-24-19/h6-12,18H,2-5,13-14H2,1H3,(H,22,26)