2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]methylsulfanyl]-3H-benzimidazole-5-carboximidamide

Systemtic Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]methylsulfanyl]-3H-benzimidazole-5-carboximidamide Openeye Name: 2-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]methylsulfanyl]-3H-benzimidazole-5-carboxamidine CAS Name: 2-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]methylthio]-3H-benzimidazole-5-carboximidamide IUPAC Name: 2-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]methylsulfanyl]-3H-benzimidazole-5-carboximidamide Traditional Name: 2-[[4-[(1-acetimidoyl-4-piperidyl)oxy]benzyl]thio]-3H-benzimidazole-5-carboxamidine Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)CSC3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)CSC3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C22H26N6OS/c1-14(23)28-10-8-18(9-11-28)29-17-5-2-15(3-6-17)13-30-22-26-19-7-4-16(21(24)25)12-20(19)27-22/h2-7,12,18,23H,8-11,13H2,1H3,(H3,24,25)(H,26,27)