1-(furan-2-ylmethyl)-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea Openeye Name: 1-(2-furylmethyl)-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)thiourea CAS Name: 1-(2-furanylmethyl)-3-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)thiourea Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NCC3=CC=CO3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C16H19N3O4S2/c20-15-6-5-13(25(21,22)19-7-1-2-8-19)10-14(15)18-16(24)17-11-12-4-3-9-23-12/h3-6,9-10,20H,1-2,7-8,11H2,(H2,17,18,24)