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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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