N-[4-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2-methoxyphenyl)methyl-(2-thienylmethyl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[o-anisyl(2-thenyl)amino]butyl]adamantane-1-carboxamide Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H36N2O3S/c1-33-25-8-3-2-6-23(25)18-30(19-24-7-5-11-34-24)26(31)9-4-10-29-27(32)28-15-20-12-21(16-28)14-22(13-20)17-28/h2-3,5-8,11,20-22H,4,9-10,12-19H2,1H3,(H,29,32)