1-butyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]thiourea

Systemtic Name: 1-butyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]thiourea Openeye Name: 1-butyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]thiourea CAS Name: 1-butyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-(1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-butyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiourea Traditional Name: 1-butyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidino-phenyl]thiourea Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=C(C=C1)N2CCCC2)S(=O)(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC(=S)NC1=CC(=C(C=C1)N2CCCC2)S(=O)(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O3S2/c1-3-4-13-23-22(30)24-18-9-12-20(26-14-5-6-15-26)21(16-18)31(27,28)25-17-7-10-19(29-2)11-8-17/h7-12,16,25H,3-6,13-15H2,1-2H3,(H2,23,24,30)