cyclopentyl 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoate

Systemtic Name: cyclopentyl 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoate Openeye Name: cyclopentyl 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]acetate CAS Name: 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)thio]-2-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]acetate Traditional Name: 2-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-2-[(6-amidino-1H-benzimidazol-2-yl)thio]acetic acid cyclopentyl ester Formula: C28H34N6O3S MolecularWeight: 534.67296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(C(=O)OC3CCCC3)SC4=NC5=C(N4)C=C(C=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(C(=O)OC3CCCC3)SC4=NC5=C(N4)C=C(C=C5)C(=N)N

InChI

InChI=1S/C28H34N6O3S/c1-17(29)34-14-12-22(13-15-34)36-21-9-6-18(7-10-21)25(27(35)37-20-4-2-3-5-20)38-28-32-23-11-8-19(26(30)31)16-24(23)33-28/h6-11,16,20,22,25,29H,2-5,12-15H2,1H3,(H3,30,31)(H,32,33)