1-butyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea

Systemtic Name: 1-butyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Openeye Name: 1-butyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea CAS Name: 1-butyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea IUPAC Name: 1-butyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Traditional Name: 1-butyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Formula: C13H21N3O2S2 MolecularWeight: 315.45474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCCC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CCCCNC(=S)NCCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C13H21N3O2S2/c1-2-3-9-15-13(19)16-10-8-11-4-6-12(7-5-11)20(14,17)18/h4-7H,2-3,8-10H2,1H3,(H2,14,17,18)(H2,15,16,19)