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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiourea Traditional Name: 1-[(1R)-1-(4-mesylphenyl)ethyl]-3-piperonyl-thiourea Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O4S2/c1-12(14-4-6-15(7-5-14)26(2,21)22)20-18(25)19-10-13-3-8-16-17(9-13)24-11-23-16/h3-9,12H,10-11H2,1-2H3,(H2,19,20,25)/t12-/m1/s1