1-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-[(2S)-2-ethylhexyl]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-3-[(2S)-2-ethylhexyl]thiourea Formula: C18H31N3O2S2 MolecularWeight: 385.58764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H31N3O2S2/c1-6-8-9-15(7-2)13-19-18(24)20-16-11-10-14(3)17(12-16)25(22,23)21(4)5/h10-12,15H,6-9,13H2,1-5H3,(H2,19,20,24)/t15-/m0/s1