N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-propyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-propyl-adamantane-1-carboxamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-N-propyl-adamantane-1-carboxamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propyladamantane-1-carboxamide Traditional Name: N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]-N-propyl-adamantane-1-carboxamide Formula: C31H42N2O4S MolecularWeight: 538.74118

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H42N2O4S/c1-4-10-33(30(35)31-17-23-13-24(18-31)15-25(14-23)19-31)21-29(34)32(20-26-6-5-12-38-26)11-9-22-7-8-27(36-2)28(16-22)37-3/h5-8,12,16,23-25H,4,9-11,13-15,17-21H2,1-3H3