methyl 4-[4-(phenylmethyl)piperazin-1-yl]-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-1-yl]-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(2-thenoylamino)benzoic acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H25N3O3S/c1-30-24(29)19-9-10-21(20(16-19)25-23(28)22-8-5-15-31-22)27-13-11-26(12-14-27)17-18-6-3-2-4-7-18/h2-10,15-16H,11-14,17H2,1H3,(H,25,28)