ethyl 2-[[4-[2-(1-benzothiophen-3-yl)ethanoyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-[2-(1-benzothiophen-3-yl)ethanoyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-[2-(benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[2-(1-benzothiophen-3-yl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-(1-benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[2-(benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C24H25N3O4S/c1-2-31-23(29)19-8-3-5-9-20(19)25-24(30)27-13-11-26(12-14-27)22(28)15-17-16-32-21-10-6-4-7-18(17)21/h3-10,16H,2,11-15H2,1H3,(H,25,30)