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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[oxo(thiophen-2-yl)methyl]amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl(2-thenoyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCOC)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NC3CCC(CC3)N)N(CCOC)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H36N4O4S/c1-18-5-7-19(8-6-18)26(33)31-17-22(30(13-14-35-2)27(34)24-4-3-15-36-24)16-23(31)25(32)29-21-11-9-20(28)10-12-21/h3-8,15,20-23H,9-14,16-17,28H2,1-2H3,(H,29,32)