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

Systemtic Name: butyl 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H34N6O3S MolecularWeight: 522.66226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C(=N)C)SC3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

CCCCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C(=N)C)SC3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C27H34N6O3S/c1-3-4-15-35-26(34)24(37-27-31-22-10-7-19(25(29)30)16-23(22)32-27)18-5-8-20(9-6-18)36-21-11-13-33(14-12-21)17(2)28/h5-10,16,21,24,28H,3-4,11-15H2,1-2H3,(H3,29,30)(H,31,32)