N-(4-azanylcyclohexyl)-4-[cyclopropyl(thiophen-2-ylcarbonyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclopropyl(thiophen-2-ylcarbonyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[cyclopropyl(thiophene-2-carbonyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-[oxo(thiophen-2-yl)methyl]amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[cyclopropyl(thiophene-2-carbonyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[cyclopropyl(2-thenoyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(C4CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(C4CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H34N4O3S/c1-17-4-6-18(7-5-17)26(33)30-16-22(31(21-12-13-21)27(34)24-3-2-14-35-24)15-23(30)25(32)29-20-10-8-19(28)9-11-20/h2-7,14,19-23H,8-13,15-16,28H2,1H3,(H,29,32)