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

Systemtic Name: N-(2-azanylethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[(4-nitrobenzyl)-phenethyl-amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4S/c28-13-14-29-26(33)24-17-23(19-31(24)27(34)25-7-4-16-37-25)30(15-12-20-5-2-1-3-6-20)18-21-8-10-22(11-9-21)32(35)36/h1-11,16,23-24H,12-15,17-19,28H2,(H,29,33)