methyl 4-[N-phenyl-C-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonimidoyl]benzoate

Systemtic Name: methyl 4-[N-phenyl-C-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonimidoyl]benzoate Openeye Name: methyl 4-[N-phenyl-C-[4-[2-(2-thienyl)ethyl]piperazin-1-yl]carbonimidoyl]benzoate CAS Name: 4-[phenylimino-[4-(2-thiophen-2-ylethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[N-phenyl-C-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonimidoyl]benzoate Traditional Name: 4-[N-phenyl-C-[4-[2-(2-thienyl)ethyl]piperazino]carbonimidoyl]benzoic acid methyl ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N3CCN(CC3)CCC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N3CCN(CC3)CCC4=CC=CS4

InChI

InChI=1S/C25H27N3O2S/c1-30-25(29)21-11-9-20(10-12-21)24(26-22-6-3-2-4-7-22)28-17-15-27(16-18-28)14-13-23-8-5-19-31-23/h2-12,19H,13-18H2,1H3