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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-butylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-butylphenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-butylphenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(piperonyloylamino)thiourea Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-2-3-4-13-5-8-15(9-6-13)20-19(26)22-21-18(23)14-7-10-16-17(11-14)25-12-24-16/h5-11H,2-4,12H2,1H3,(H,21,23)(H2,20,22,26)