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

Systemtic Name: methyl 4-[[4-[2-(1-benzothiophen-3-yl)ethanoyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[2-(benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[2-(1-benzothiophen-3-yl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(1-benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[2-(benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H23N3O4S/c1-30-22(28)16-6-8-18(9-7-16)24-23(29)26-12-10-25(11-13-26)21(27)14-17-15-31-20-5-3-2-4-19(17)20/h2-9,15H,10-14H2,1H3,(H,24,29)