1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-butylphenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-piperonyl-thiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O2S/c1-2-3-4-14-5-8-16(9-6-14)21-19(24)20-12-15-7-10-17-18(11-15)23-13-22-17/h5-11H,2-4,12-13H2,1H3,(H2,20,21,24)