N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide

Systemtic Name: N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide CAS Name: N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-[2-(1-pyrrolidinyl)ethyl]octanamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(2-pyrrolidinoethyl)caprylamide Formula: C29H43N3O2S MolecularWeight: 497.73562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCN1CCCC1)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C

Isomeric SMILES

CCCCCCCC(=O)N(CCN1CCCC1)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C

InChI

InChI=1S/C29H43N3O2S/c1-3-4-5-6-10-15-28(33)31(20-19-30-17-11-12-18-30)24-29(34)32(22-26-13-8-7-9-14-26)23-27-25(2)16-21-35-27/h7-9,13-14,16,21H,3-6,10-12,15,17-20,22-24H2,1-2H3