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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-15-5-4-6-17(11-15)22-21(26)23(18-7-2-3-8-18)13-16-9-10-19-20(12-16)25-14-24-19/h4-6,9-12,18H,2-3,7-8,13-14H2,1H3,(H,22,26)