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

Systemtic Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-cyclopropyl-N-[2-[homoveratryl(2-thenyl)amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C31H40N2O4S MolecularWeight: 536.7253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(C3CC3)C(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(C3CC3)C(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C31H40N2O4S/c1-36-27-8-5-21(15-28(27)37-2)9-10-32(19-26-4-3-11-38-26)29(34)20-33(25-6-7-25)30(35)31-16-22-12-23(17-31)14-24(13-22)18-31/h3-5,8,11,15,22-25H,6-7,9-10,12-14,16-20H2,1-2H3