1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-heptan-2-yl]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-heptan-2-yl]thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-methylhexyl]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-heptan-2-yl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-heptan-2-yl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(1S)-1-methylhexyl]thiourea Formula: C16H27N3O2S2 MolecularWeight: 357.53448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2S2/c1-5-6-7-9-13(2)17-16(22)18-14-10-8-11-15(12-14)23(20,21)19(3)4/h8,10-13H,5-7,9H2,1-4H3,(H2,17,18,22)/t13-/m0/s1