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

Systemtic Name: 1-[3-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]urea Openeye Name: [3-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenyl]urea CAS Name: [3-[3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl]urea IUPAC Name: [3-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]urea Traditional Name: [3-[3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenyl]urea Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC(=CC=C5)NC(=O)N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC(=CC=C5)NC(=O)N

InChI

InChI=1S/C28H29N3O2S/c29-28(32)30-22-7-5-6-21(19-22)27-25(24-8-1-2-9-26(24)34-27)18-20-10-12-23(13-11-20)33-17-16-31-14-3-4-15-31/h1-2,5-13,19H,3-4,14-18H2,(H3,29,30,32)