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

Systemtic Name: 1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]thiourea CAS Name: 1-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]thiourea Traditional Name: 1-benzyl-3-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]thiourea Formula: C20H28N4O2S2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O2S2/c1-4-5-13-21-18-12-11-17(28(25,26)24(2)3)14-19(18)23-20(27)22-15-16-9-7-6-8-10-16/h6-12,14,21H,4-5,13,15H2,1-3H3,(H2,22,23,27)