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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopentylthiourea Traditional Name: 3-benzyl-1-cyclopentyl-1-piperonyl-thiourea Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O2S/c26-21(22-13-16-6-2-1-3-7-16)23(18-8-4-5-9-18)14-17-10-11-19-20(12-17)25-15-24-19/h1-3,6-7,10-12,18H,4-5,8-9,13-15H2,(H,22,26)