1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea

Systemtic Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Openeye Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea CAS Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea IUPAC Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(1,3-benzodioxol-5-ylmethyl)thiourea Traditional Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-piperonyl-thiourea Formula: C22H18N4O2S MolecularWeight: 402.46892

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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=NC5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H18N4O2S/c29-22(23-12-14-5-10-19-20(11-14)28-13-27-19)24-16-8-6-15(7-9-16)21-25-17-3-1-2-4-18(17)26-21/h1-11H,12-13H2,(H,25,26)(H2,23,24,29)