N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[2-morpholin-4-ylethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[2-morpholin-4-ylethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[2-morpholinoethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-4-[2-(4-morpholinyl)ethyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[2-morpholin-4-ylethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[2-morpholinoethyl(2-thenoyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C26H35N5O4S MolecularWeight: 513.6522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCN3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CCN3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H35N5O4S/c1-19-4-6-20(7-5-19)25(33)31-18-21(17-22(31)24(32)28-9-8-27)30(26(34)23-3-2-16-36-23)11-10-29-12-14-35-15-13-29/h2-7,16,21-22H,8-15,17-18,27H2,1H3,(H,28,32)