2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)ethanamide

Systemtic Name: 2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-N-(4-pyrrolidin-1-ylcarbonylphenyl)ethanamide Openeye Name: 2-(2-carbamimidoylbenzothiophen-4-yl)oxy-2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide CAS Name: 2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-phenylacetamide IUPAC Name: 2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide Traditional Name: 2-(2-amidinobenzothiophen-4-yl)oxy-2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=C5C=C(SC5=CC=C4)C(=N)N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC4=C5C=C(SC5=CC=C4)C(=N)N

InChI

InChI=1S/C28H26N4O3S/c29-26(30)24-17-21-22(9-6-10-23(21)36-24)35-25(18-7-2-1-3-8-18)27(33)31-20-13-11-19(12-14-20)28(34)32-15-4-5-16-32/h1-3,6-14,17,25H,4-5,15-16H2,(H3,29,30)(H,31,33)