N-[4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H29N3O2S/c1-13-14(2)28-20(18(13)12-23)25-19(26)4-3-5-24-21(27)22-9-15-6-16(10-22)8-17(7-15)11-22/h15-17H,3-11H2,1-2H3,(H,24,27)(H,25,26)