1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-[[[3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-pentylthiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea Traditional Name: 1-amyl-3-[[3-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]thiourea Formula: C15H25N5O2S3 MolecularWeight: 403.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N(C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N(C)C

InChI

InChI=1S/C15H25N5O2S3/c1-4-5-6-10-16-14(23)18-19-15(24)17-12-8-7-9-13(11-12)25(21,22)20(2)3/h7-9,11H,4-6,10H2,1-3H3,(H2,16,18,23)(H2,17,19,24)