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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Traditional Name: 1-(4-mesylbenzyl)-3-piperonyl-thiourea Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S2/c1-25(20,21)14-5-2-12(3-6-14)9-18-17(24)19-10-13-4-7-15-16(8-13)23-11-22-15/h2-8H,9-11H2,1H3,(H2,18,19,24)