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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-ethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-ethylphenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-ethylphenyl)thiourea Traditional Name: 1-(4-ethylphenyl)-3-(piperonyloylamino)thiourea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O3S/c1-2-11-3-6-13(7-4-11)18-17(24)20-19-16(21)12-5-8-14-15(9-12)23-10-22-14/h3-9H,2,10H2,1H3,(H,19,21)(H2,18,20,24)