1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylsulfanylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylsulfanylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylsulfanylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(phenylthio)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylsulfanylphenyl)thiourea Traditional Name: 1-[2-(phenylthio)phenyl]-3-piperonyl-thiourea Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O2S2/c26-21(22-13-15-10-11-18-19(12-15)25-14-24-18)23-17-8-4-5-9-20(17)27-16-6-2-1-3-7-16/h1-12H,13-14H2,(H2,22,23,26)