1-(1,3-benzodioxol-5-yl)-3-[(4-methylsulfonylphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylsulfonylphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylsulfonylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-mesylbenzyl)thiourea Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N2O4S2/c1-24(19,20)13-5-2-11(3-6-13)9-17-16(23)18-12-4-7-14-15(8-12)22-10-21-14/h2-8H,9-10H2,1H3,(H2,17,18,23)