1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(furan-2-ylmethyl)thiourea Openeye Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-furylmethyl)thiourea CAS Name: 1-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2-furanylmethyl)thiourea IUPAC Name: 1-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(furan-2-ylmethyl)thiourea Traditional Name: 1-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(2-furfuryl)thiourea Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NCC2=CC=CO2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)NCC2=CC=CO2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O4S2/c1-2-24-16-8-7-14(20-18(26)19-13-15-6-5-11-25-15)12-17(16)27(22,23)21-9-3-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,19,20,26)