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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(4-phenoxyphenyl)-3-(piperonyloylamino)thiourea Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c25-20(14-6-11-18-19(12-14)27-13-26-18)23-24-21(29)22-15-7-9-17(10-8-15)28-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,25)(H2,22,24,29)