ethanedioic acid; 1-methyl-3-[3-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]urea

Systemtic Name: ethanedioic acid; 1-methyl-3-[3-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]urea Openeye Name: 1-methyl-3-[3-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenyl]urea; oxalic acid CAS Name: 1-methyl-3-[3-[3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl]urea; oxalic acid IUPAC Name: 1-methyl-3-[3-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]urea; oxalic acid Traditional Name: 1-methyl-3-[3-[3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenyl]urea; oxalic acid Formula: C31H33N3O6S MolecularWeight: 575.67522

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=CC(=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5.C(=O)(C(=O)O)O

Isomeric SMILES

CNC(=O)NC1=CC=CC(=C1)C2=C(C3=CC=CC=C3S2)CC4=CC=C(C=C4)OCCN5CCCC5.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H31N3O2S.C2H2O4/c1-30-29(33)31-23-8-6-7-22(20-23)28-26(25-9-2-3-10-27(25)35-28)19-21-11-13-24(14-12-21)34-18-17-32-15-4-5-16-32;3-1(4)2(5)6/h2-3,6-14,20H,4-5,15-19H2,1H3,(H2,30,31,33);(H,3,4)(H,5,6)