N-[3-[[2-(diethylamino)-2-thiophen-3-yl-ethyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[2-(diethylamino)-2-thiophen-3-yl-ethyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(diethylamino)-2-(3-thienyl)ethyl]amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(diethylamino)-2-(3-thiophenyl)ethyl]amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-(diethylamino)-2-(3-thienyl)ethyl]amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C24H37N3O2S MolecularWeight: 431.63448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CCNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CSC=C4

Isomeric SMILES

CCN(CC)C(CNC(=O)CCNC(=O)C12CC3CC(C1)CC(C3)C2)C4=CSC=C4

InChI

InChI=1S/C24H37N3O2S/c1-3-27(4-2)21(20-6-8-30-16-20)15-26-22(28)5-7-25-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h6,8,16-19,21H,3-5,7,9-15H2,1-2H3,(H,25,29)(H,26,28)