1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(2-furfuryl)-1-piperonyl-thiourea Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CO3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CO3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H17BrN2O3S/c21-15-4-6-16(7-5-15)22-20(27)23(12-17-2-1-9-24-17)11-14-3-8-18-19(10-14)26-13-25-18/h1-10H,11-13H2,(H,22,27)