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

Systemtic Name: propan-2-yl 2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)sulfanyl]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=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

CC(C)OC(=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/C26H32N6O3S/c1-15(2)34-25(33)23(36-26-30-21-9-6-18(24(28)29)14-22(21)31-26)17-4-7-19(8-5-17)35-20-10-12-32(13-11-20)16(3)27/h4-9,14-15,20,23,27H,10-13H2,1-3H3,(H3,28,29)(H,30,31)