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

Systemtic Name: 1-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-3-[(2S)-2-ethylhexyl]thiourea Formula: C18H31N3O3S2 MolecularWeight: 401.58704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O3S2/c1-6-8-9-14(7-2)13-19-18(25)20-15-10-11-16(24-5)17(12-15)26(22,23)21(3)4/h10-12,14H,6-9,13H2,1-5H3,(H2,19,20,25)/t14-/m0/s1