N-(3-methoxypropyl)-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-(3-methoxypropyl)-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-(3-methoxypropyl)adamantane-1-carboxamide CAS Name: N-(3-methoxypropyl)-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-(3-methoxypropyl)adamantane-1-carboxamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide Formula: C30H40N2O3S MolecularWeight: 508.7152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CCCOC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CCCOC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H40N2O3S/c1-22-9-10-27(36-22)20-32(19-23-7-4-3-5-8-23)28(33)21-31(11-6-12-35-2)29(34)30-16-24-13-25(17-30)15-26(14-24)18-30/h3-5,7-10,24-26H,6,11-21H2,1-2H3