3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[5-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-4-yl]benzimidazol-1-yl]thiophene-2-carboxamide

Systemtic Name: 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[5-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-4-yl]benzimidazol-1-yl]thiophene-2-carboxamide Openeye Name: 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[5-[2-[3-(4-methylpiperazin-1-yl)propylamino]-4-pyridyl]benzimidazol-1-yl]thiophene-2-carboxamide CAS Name: 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[5-[2-[3-(4-methyl-1-piperazinyl)propylamino]-4-pyridinyl]-1-benzimidazolyl]-2-thiophenecarboxamide IUPAC Name: 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[5-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyridin-4-yl]benzimidazol-1-yl]thiophene-2-carboxamide Traditional Name: 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[5-[2-[3-(4-methylpiperazino)propylamino]-4-pyridyl]benzimidazol-1-yl]thiophene-2-carboxamide Formula: C33H36ClN7O2S MolecularWeight: 630.20264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC=C5)NCCCN6CCN(CC6)C)C(=O)N

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC=C5)NCCCN6CCN(CC6)C)C(=O)N

InChI

InChI=1S/C33H36ClN7O2S/c1-22(25-6-3-4-7-26(25)34)43-29-20-31(44-32(29)33(35)42)41-21-38-27-18-23(8-9-28(27)41)24-10-12-37-30(19-24)36-11-5-13-40-16-14-39(2)15-17-40/h3-4,6-10,12,18-22H,5,11,13-17H2,1-2H3,(H2,35,42)(H,36,37)/t22-/m1/s1