[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C31H27N3O3S MolecularWeight: 521.62938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C31H27N3O3S/c35-28(34-18-16-33(17-19-34)20-22-8-2-1-3-9-22)21-37-31(36)25-13-7-11-23-10-6-12-24(29(23)25)30-32-26-14-4-5-15-27(26)38-30/h1-15H,16-21H2