1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(2-furfuryl)thiourea Formula: C18H26N4O3S2 MolecularWeight: 410.55404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCC2=CC=CO2

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C18H26N4O3S2/c1-4-5-10-19-16-9-8-15(27(23,24)22(2)3)12-17(16)21-18(26)20-13-14-7-6-11-25-14/h6-9,11-12,19H,4-5,10,13H2,1-3H3,(H2,20,21,26)