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4-[4-(5-oxidanylidene-5-phenylazanyl-pentyl)piperazin-1-yl]-1-benzothiophene-2-carboxylic acid

4-[4-(5-oxidanylidene-5-phenylazanyl-pentyl)piperazin-1-yl]-1-benzothiophene-2-carboxylic acid

Systemtic Name:4-[4-(5-oxidanylidene-5-phenylazanyl-pentyl)piperazin-1-yl]-1-benzothiophene-2-carboxylic acid
Openeye Name:4-[4-(5-anilino-5-oxo-pentyl)piperazin-1-yl]benzothiophene-2-carboxylic acid
CAS Name:4-[4-(5-anilino-5-oxopentyl)-1-piperazinyl]-1-benzothiophene-2-carboxylic acid
IUPAC Name:4-[4-(5-anilino-5-oxopentyl)piperazin-1-yl]-1-benzothiophene-2-carboxylic acid
Traditional Name:4-[4-(5-anilino-5-keto-pentyl)piperazino]benzothiophene-2-carboxylic acid
Formula: C24H27N3O3S
MolecularWeight: 437.55448
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(=O)NC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)C(=O)O


Isomeric SMILES

C1CN(CCN1CCCCC(=O)NC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)C(=O)O


InChI

InChI=1S/C24H27N3O3S/c28-23(25-18-7-2-1-3-8-18)11-4-5-12-26-13-15-27(16-14-26)20-9-6-10-21-19(20)17-22(31-21)24(29)30/h1-3,6-10,17H,4-5,11-16H2,(H,25,28)(H,29,30)


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