1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-piperonyl-1-(3-pyridylmethyl)thiourea Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O2S/c22-17-4-6-18(7-5-17)24-21(28)25(13-16-2-1-9-23-11-16)12-15-3-8-19-20(10-15)27-14-26-19/h1-11H,12-14H2,(H,24,28)