1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[3-(methylthio)phenyl]-3-piperonyl-thiourea Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S2/c1-22-13-4-2-3-12(8-13)18-16(21)17-9-11-5-6-14-15(7-11)20-10-19-14/h2-8H,9-10H2,1H3,(H2,17,18,21)