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

Systemtic Name: N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-propyl-adamantane-1-carboxamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-propyl-adamantane-1-carboxamide CAS Name: N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-propyl-1-adamantanecarboxamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propyladamantane-1-carboxamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-propyl-adamantane-1-carboxamide Formula: C29H38N2O2S MolecularWeight: 478.68922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O2S/c1-3-10-30(28(33)29-15-23-12-24(16-29)14-25(13-23)17-29)20-27(32)31(18-22-7-5-4-6-8-22)19-26-21(2)9-11-34-26/h4-9,11,23-25H,3,10,12-20H2,1-2H3