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

Systemtic Name: N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[tetrahydrofuran-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-4-[2-oxolanylmethyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[oxolan-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-p-toluoyl-4-[tetrahydrofurfuryl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C25H32N4O4S MolecularWeight: 484.61098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3CCCO3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3CCCO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H32N4O4S/c1-17-6-8-18(9-7-17)24(31)29-15-19(14-21(29)23(30)27-11-10-26)28(16-20-4-2-12-33-20)25(32)22-5-3-13-34-22/h3,5-9,13,19-21H,2,4,10-12,14-16,26H2,1H3,(H,27,30)