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

Systemtic Name: N-(2-azanylethyl)-4-[cyclopropyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[benzyl(cyclopropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclopropyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[benzyl(cyclopropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[benzyl(cyclopropyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

InChI

InChI=1S/C22H28N4O2S/c23-10-11-24-21(27)19-13-18(15-26(19)22(28)20-7-4-12-29-20)25(17-8-9-17)14-16-5-2-1-3-6-16/h1-7,12,17-19H,8-11,13-15,23H2,(H,24,27)