[3-[ethanoyl-[4-(2-piperidin-1-ylethoxy)phenyl]amino]-2-phenyl-1-benzothiophen-6-yl] benzoate

Systemtic Name: [3-[ethanoyl-[4-(2-piperidin-1-ylethoxy)phenyl]amino]-2-phenyl-1-benzothiophen-6-yl] benzoate Openeye Name: [3-[N-acetyl-4-[2-(1-piperidyl)ethoxy]anilino]-2-phenyl-benzothiophen-6-yl] benzoate CAS Name: benzoic acid [3-[N-acetyl-4-[2-(1-piperidinyl)ethoxy]anilino]-2-phenyl-1-benzothiophen-6-yl] ester IUPAC Name: [3-[N-acetyl-4-(2-piperidin-1-ylethoxy)anilino]-2-phenyl-1-benzothiophen-6-yl] benzoate Traditional Name: benzoic acid [3-[N-acetyl-4-(2-piperidinoethoxy)anilino]-2-phenyl-benzothiophen-6-yl] ester Formula: C36H34N2O4S MolecularWeight: 590.73116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)OCCN2CCCCC2)C3=C(SC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)OCCN2CCCCC2)C3=C(SC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H34N2O4S/c1-26(39)38(29-15-17-30(18-16-29)41-24-23-37-21-9-4-10-22-37)34-32-20-19-31(42-36(40)28-13-7-3-8-14-28)25-33(32)43-35(34)27-11-5-2-6-12-27/h2-3,5-8,11-20,25H,4,9-10,21-24H2,1H3