N-(2-azanylethyl)-1-ethanoyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[p-tolylmethyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-methylbenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C)C(=O)NCCN

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CS2)C3CC(N(C3)C(=O)C)C(=O)NCCN

InChI

InChI=1S/C22H30N4O2S/c1-16-5-7-18(8-6-16)13-25(15-20-4-3-11-29-20)19-12-21(22(28)24-10-9-23)26(14-19)17(2)27/h3-8,11,19,21H,9-10,12-15,23H2,1-2H3,(H,24,28)