3-[(1R)-1-(2-chloranyl-3-piperidin-4-yloxy-phenyl)ethoxy]-5-(5,6-dicyanobenzimidazol-1-yl)thiophene-2-carboxamide

Systemtic Name: 3-[(1R)-1-(2-chloranyl-3-piperidin-4-yloxy-phenyl)ethoxy]-5-(5,6-dicyanobenzimidazol-1-yl)thiophene-2-carboxamide Openeye Name: 3-[(1R)-1-[2-chloro-3-(4-piperidyloxy)phenyl]ethoxy]-5-(5,6-dicyanobenzimidazol-1-yl)thiophene-2-carboxamide CAS Name: 3-[(1R)-1-[2-chloro-3-(4-piperidinyloxy)phenyl]ethoxy]-5-(5,6-dicyano-1-benzimidazolyl)-2-thiophenecarboxamide IUPAC Name: 3-[(1R)-1-(2-chloro-3-piperidin-4-yloxyphenyl)ethoxy]-5-(5,6-dicyanobenzimidazol-1-yl)thiophene-2-carboxamide Traditional Name: 3-[(1R)-1-[2-chloro-3-(4-piperidyloxy)phenyl]ethoxy]-5-(5,6-dicyanobenzimidazol-1-yl)thiophene-2-carboxamide Formula: C27H23ClN6O3S MolecularWeight: 547.02792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC=C1)OC2CCNCC2)Cl)OC3=C(SC(=C3)N4C=NC5=C4C=C(C(=C5)C#N)C#N)C(=O)N

Isomeric SMILES

C[C@H](C1=C(C(=CC=C1)OC2CCNCC2)Cl)OC3=C(SC(=C3)N4C=NC5=C4C=C(C(=C5)C#N)C#N)C(=O)N

InChI

InChI=1S/C27H23ClN6O3S/c1-15(19-3-2-4-22(25(19)28)37-18-5-7-32-8-6-18)36-23-11-24(38-26(23)27(31)35)34-14-33-20-9-16(12-29)17(13-30)10-21(20)34/h2-4,9-11,14-15,18,32H,5-8H2,1H3,(H2,31,35)/t15-/m1/s1