N-cyclopropyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-cyclopropyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-adamantane-1-carboxamide CAS Name: N-cyclopropyl-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyladamantane-1-carboxamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-cyclopropyl-adamantane-1-carboxamide Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N2O2S/c1-20-7-10-26(34-20)18-30(17-21-5-3-2-4-6-21)27(32)19-31(25-8-9-25)28(33)29-14-22-11-23(15-29)13-24(12-22)16-29/h2-7,10,22-25H,8-9,11-19H2,1H3