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

Systemtic Name: 3-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]-N-methyl-N-pyrrolidin-2-yl-1-benzothiophene-2-carboxamide Openeye Name: 3-[2-(6-carbamimidoyl-1-methyl-indol-2-yl)ethyl]-N-methyl-N-pyrrolidin-2-yl-benzothiophene-2-carboxamide CAS Name: 3-[2-(6-carbamimidoyl-1-methyl-2-indolyl)ethyl]-N-methyl-N-(2-pyrrolidinyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-[2-(6-carbamimidoyl-1-methylindol-2-yl)ethyl]-N-methyl-N-pyrrolidin-2-yl-1-benzothiophene-2-carboxamide Traditional Name: 3-[2-(6-amidino-1-methyl-indol-2-yl)ethyl]-N-methyl-N-pyrrolidin-2-yl-benzothiophene-2-carboxamide Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3=C(SC4=CC=CC=C43)C(=O)N(C)C5CCCN5

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3=C(SC4=CC=CC=C43)C(=O)N(C)C5CCCN5

InChI

InChI=1S/C26H29N5OS/c1-30-18(14-16-9-10-17(25(27)28)15-21(16)30)11-12-20-19-6-3-4-7-22(19)33-24(20)26(32)31(2)23-8-5-13-29-23/h3-4,6-7,9-10,14-15,23,29H,5,8,11-13H2,1-2H3,(H3,27,28)