1-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea

Systemtic Name: 1-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Openeye Name: 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]urea CAS Name: 1-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]urea IUPAC Name: 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea Traditional Name: 1-[4-(2-ketopyrrolidino)benzyl]-3-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]urea Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)NCC3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)NCC3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H26N4O4S2/c26-19-4-3-13-25(19)17-7-5-16(6-8-17)14-22-21(27)23-15-18-9-10-20(30-18)31(28,29)24-11-1-2-12-24/h5-10H,1-4,11-15H2,(H2,22,23,27)