1-butyl-3-[3-methoxy-4-(methylsulfonylamino)phenyl]thiourea

Systemtic Name: 1-butyl-3-[3-methoxy-4-(methylsulfonylamino)phenyl]thiourea Openeye Name: 1-butyl-3-[4-(methanesulfonamido)-3-methoxy-phenyl]thiourea CAS Name: 1-butyl-3-[4-(methanesulfonamido)-3-methoxyphenyl]thiourea IUPAC Name: 1-butyl-3-[4-(methanesulfonamido)-3-methoxyphenyl]thiourea Traditional Name: 1-butyl-3-[4-(methanesulfonamido)-3-methoxy-phenyl]thiourea Formula: C13H21N3O3S2 MolecularWeight: 331.45414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=C(C=C1)NS(=O)(=O)C)OC

Isomeric SMILES

CCCCNC(=S)NC1=CC(=C(C=C1)NS(=O)(=O)C)OC

InChI

InChI=1S/C13H21N3O3S2/c1-4-5-8-14-13(20)15-10-6-7-11(12(9-10)19-2)16-21(3,17)18/h6-7,9,16H,4-5,8H2,1-3H3,(H2,14,15,20)