methyl 4-[[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[oxo-[[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamoyl]benzoate Traditional Name: 4-[[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H31N3O3S/c1-20(28-26(31)22-10-12-23(13-11-22)27(32)33-2)25(24-9-6-18-34-24)30-16-14-29(15-17-30)19-21-7-4-3-5-8-21/h3-13,18,20,25H,14-17,19H2,1-2H3,(H,28,31)