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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1-benzofuran-2-yl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(benzofuran-2-yl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(2-benzofuranyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1-benzofuran-2-yl)phenyl]thiourea Traditional Name: 1-[4-(benzofuran-2-yl)phenyl]-3-piperonyl-thiourea Formula: C23H18N2O3S MolecularWeight: 402.46562

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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=CC5=CC=CC=C5O4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H18N2O3S/c29-23(24-13-15-5-10-20-22(11-15)27-14-26-20)25-18-8-6-16(7-9-18)21-12-17-3-1-2-4-19(17)28-21/h1-12H,13-14H2,(H2,24,25,29)