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

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thienylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thenyl)amino]-1-p-toluoyl-pyrrolidine-2-carboxamide Formula: C27H38N4O2S MolecularWeight: 482.68122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C27H38N4O2S/c1-20-9-11-22(12-10-20)27(33)31-18-23(16-25(31)26(32)29-14-13-28)30(19-24-8-5-15-34-24)17-21-6-3-2-4-7-21/h5,8-12,15,21,23,25H,2-4,6-7,13-14,16-19,28H2,1H3,(H,29,32)