[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3S/c1-21-25-9-5-6-10-26(25)36-28(21)29(34)35-20-27(33)30-23-11-13-24(14-12-23)32-17-15-31(16-18-32)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3,(H,30,33)