2-[(4-methoxyphenyl)-(phenylmethyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-methoxyphenyl)-(phenylmethyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(N-benzyl-4-methoxy-anilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-methoxy-N-(phenylmethyl)anilino)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(N-benzyl-4-methoxyanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(N-benzyl-4-methoxy-anilino)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O3S/c1-31-22-11-9-21(10-12-22)28(18-20-6-3-2-4-7-20)19-24(29)26-13-15-27(16-14-26)25(30)23-8-5-17-32-23/h2-12,17H,13-16,18-19H2,1H3