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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-(piperonyloylamino)-3-p-phenetyl-thiourea Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O4S/c1-2-22-13-6-4-12(5-7-13)18-17(25)20-19-16(21)11-3-8-14-15(9-11)24-10-23-14/h3-9H,2,10H2,1H3,(H,19,21)(H2,18,20,25)