N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-[2-(1-pyrrolidinyl)ethyl]octanamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)octanamide Traditional Name: N-[2-[homoveratryl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(2-pyrrolidinoethyl)caprylamide Formula: C32H49N3O4S MolecularWeight: 571.81416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCN1CCCC1)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=CS3)C

Isomeric SMILES

CCCCCCCC(=O)N(CCN1CCCC1)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=CS3)C

InChI

InChI=1S/C32H49N3O4S/c1-5-6-7-8-9-12-31(36)35(21-20-33-17-10-11-18-33)25-32(37)34(24-30-26(2)16-22-40-30)19-15-27-13-14-28(38-3)29(23-27)39-4/h13-14,16,22-23H,5-12,15,17-21,24-25H2,1-4H3