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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-methoxyphenyl)thiourea Traditional Name: 1-cyclopentyl-3-(4-methoxyphenyl)-1-piperonyl-thiourea Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C21H24N2O3S/c1-24-18-9-7-16(8-10-18)22-21(27)23(17-4-2-3-5-17)13-15-6-11-19-20(12-15)26-14-25-19/h6-12,17H,2-5,13-14H2,1H3,(H,22,27)