1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(2S)-octan-2-yl]thiourea

Systemtic Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(2S)-octan-2-yl]thiourea Openeye Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(1S)-1-methylheptyl]thiourea CAS Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[(2S)-octan-2-yl]thiourea IUPAC Name: 1-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[(2S)-octan-2-yl]thiourea Traditional Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(1S)-1-methylheptyl]thiourea Formula: C18H31N3O2S2 MolecularWeight: 385.58764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCCCCC[C@H](C)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C18H31N3O2S2/c1-6-7-8-9-10-15(3)19-18(24)20-17-13-16(12-11-14(17)2)25(22,23)21(4)5/h11-13,15H,6-10H2,1-5H3,(H2,19,20,24)/t15-/m0/s1