N-butyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]octanamide

Systemtic Name: N-butyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]octanamide Openeye Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-butyl-octanamide CAS Name: N-butyl-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]octanamide IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butyloctanamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-butyl-caprylamide Formula: C27H40N2O2S MolecularWeight: 456.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCCC)CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C

Isomeric SMILES

CCCCCCCC(=O)N(CCCC)CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C

InChI

InChI=1S/C27H40N2O2S/c1-4-6-8-9-13-16-26(30)28(19-7-5-2)22-27(31)29(20-24-14-11-10-12-15-24)21-25-18-17-23(3)32-25/h10-12,14-15,17-18H,4-9,13,16,19-22H2,1-3H3