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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylphenyl)thiourea Traditional Name: 1-(4-phenylphenyl)-3-piperonyl-thiourea Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S/c26-21(22-13-15-6-11-19-20(12-15)25-14-24-19)23-18-9-7-17(8-10-18)16-4-2-1-3-5-16/h1-12H,13-14H2,(H2,22,23,26)