3-[[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-[[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-[[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]benzothiophene-2-carboxamide CAS Name: 3-[[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-2-pyrrolidinyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-[[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-[[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]methyl]benzothiophene-2-carboxamide Formula: C27H31N5OS MolecularWeight: 473.63294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)CC4=C(SC5=CC=CC=C54)C(=O)N

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)CC4=C(SC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C27H31N5OS/c1-2-32-19(14-17-8-9-18(25(28)29)15-22(17)32)10-12-27(11-5-13-31-27)16-21-20-6-3-4-7-23(20)34-24(21)26(30)33/h3-4,6-9,14-15,31H,2,5,10-13,16H2,1H3,(H3,28,29)(H2,30,33)