methyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C28H24ClN3O4S MolecularWeight: 534.02586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C28H24ClN3O4S/c1-36-28(35)19-11-12-22(31-13-15-32(16-14-31)27(34)18-7-3-2-4-8-18)21(17-19)30-26(33)25-24(29)20-9-5-6-10-23(20)37-25/h2-12,17H,13-16H2,1H3,(H,30,33)