1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfanylphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfanylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfanylphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(methylthio)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfanylphenyl)methyl]thiourea Traditional Name: 1-[4-(methylthio)benzyl]-3-piperonyl-thiourea Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O2S2/c1-23-14-5-2-12(3-6-14)9-18-17(22)19-10-13-4-7-15-16(8-13)21-11-20-15/h2-8H,9-11H2,1H3,(H2,18,19,22)