N-(2-azanylethyl)-4-[phenethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[phenethyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[oxo(thiophen-2-yl)methyl]-4-[phenethyl-(phenylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[benzyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=CS2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CC=CS2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2S/c28-14-15-29-26(32)24-18-23(20-31(24)27(33)25-12-7-17-34-25)30(19-22-10-5-2-6-11-22)16-13-21-8-3-1-4-9-21/h1-12,17,23-24H,13-16,18-20,28H2,(H,29,32)