N-(2-azanylethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(m-anisyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

InChI

InChI=1S/C27H38N4O3S/c1-34-23-10-5-9-21(15-23)18-30(17-20-7-3-2-4-8-20)22-16-24(26(32)29-13-12-28)31(19-22)27(33)25-11-6-14-35-25/h5-6,9-11,14-15,20,22,24H,2-4,7-8,12-13,16-19,28H2,1H3,(H,29,32)