N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-adamantane-1-carboxamide

Systemtic Name: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-propyl-adamantane-1-carboxamide Openeye Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-propyl-adamantane-1-carboxamide CAS Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-propyl-1-adamantanecarboxamide IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propyladamantane-1-carboxamide Traditional Name: N-[2-[(4-fluorobenzyl)-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-propyl-adamantane-1-carboxamide Formula: C29H37FN2O2S MolecularWeight: 496.679683

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=C(C=CS2)C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=C(C=CS2)C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H37FN2O2S/c1-3-9-31(28(34)29-14-22-11-23(15-29)13-24(12-22)16-29)19-27(33)32(18-26-20(2)8-10-35-26)17-21-4-6-25(30)7-5-21/h4-8,10,22-24H,3,9,11-19H2,1-2H3