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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-adamantane-1-carboxamide Openeye Name: N-allyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enyl-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enyladamantane-1-carboxamide Traditional Name: N-allyl-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(CC=C)C(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)C(=O)CN(CC=C)C(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C31H40N2O4S/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/h4-8,12,16,23-25H,1,9-11,13-15,17-21H2,2-3H3