1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-furylmethyl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-(2-furfuryl)thiourea Formula: C20H28N4O3S2 MolecularWeight: 436.59132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H28N4O3S2/c1-3-24(4-2)29(25,26)17-9-10-19(23-11-5-6-12-23)18(14-17)22-20(28)21-15-16-8-7-13-27-16/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H2,21,22,28)