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

Systemtic Name: N-(2-methylpropyl)-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]octanamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-octanamide CAS Name: N-(2-methylpropyl)-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]octanamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-isobutyl-caprylamide Formula: C27H40N2O2S MolecularWeight: 456.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CC(C)C)CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C

Isomeric SMILES

CCCCCCCC(=O)N(CC(C)C)CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C

InChI

InChI=1S/C27H40N2O2S/c1-5-6-7-8-12-15-26(30)28(18-22(2)3)21-27(31)29(19-24-13-10-9-11-14-24)20-25-23(4)16-17-32-25/h9-11,13-14,16-17,22H,5-8,12,15,18-21H2,1-4H3