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

Systemtic Name: N-(3-ethoxypropyl)-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(3-ethoxypropyl)adamantane-1-carboxamide CAS Name: N-(3-ethoxypropyl)-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)adamantane-1-carboxamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(3-ethoxypropyl)adamantane-1-carboxamide Formula: C31H42N2O3S MolecularWeight: 522.74178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O3S/c1-3-36-12-7-11-32(30(35)31-17-25-14-26(18-31)16-27(15-25)19-31)22-29(34)33(20-24-8-5-4-6-9-24)21-28-23(2)10-13-37-28/h4-6,8-10,13,25-27H,3,7,11-12,14-22H2,1-2H3