N-[[4-[[2-(dimethylamino)-2-thiophen-3-yl-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[[2-(dimethylamino)-2-thiophen-3-yl-ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[[2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[[2-(dimethylamino)-2-(3-thiophenyl)ethyl]amino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[[2-(dimethylamino)-2-(3-thienyl)ethyl]carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CSC=C5

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC=C(C=C1)CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CSC=C5

InChI

InChI=1S/C27H35N3O2S/c1-30(2)24(23-7-8-33-17-23)16-28-25(31)22-5-3-18(4-6-22)15-29-26(32)27-12-19-9-20(13-27)11-21(10-19)14-27/h3-8,17,19-21,24H,9-16H2,1-2H3,(H,28,31)(H,29,32)