1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[(4-methoxyphenyl)methyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H17N3O4S/c1-22-13-5-2-11(3-6-13)9-18-17(25)20-19-16(21)12-4-7-14-15(8-12)24-10-23-14/h2-8H,9-10H2,1H3,(H,19,21)(H2,18,20,25)