1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(4-phenoxyphenyl)-3-piperonyl-thiourea Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S/c27-21(22-13-15-6-11-19-20(12-15)25-14-24-19)23-16-7-9-18(10-8-16)26-17-4-2-1-3-5-17/h1-12H,13-14H2,(H2,22,23,27)