1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[2-(4-methoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[2-(4-methoxyphenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[2-(4-methoxyphenyl)ethyl]thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[2-(4-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[2-(4-methoxyphenyl)ethyl]thiourea Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-3-(piperonyloylamino)thiourea Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-23-14-5-2-12(3-6-14)8-9-19-18(26)21-20-17(22)13-4-7-15-16(10-13)25-11-24-15/h2-7,10H,8-9,11H2,1H3,(H,20,22)(H2,19,21,26)