N-(3-methylbutyl)-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-4-pentyl-benzamide

Systemtic Name: N-(3-methylbutyl)-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-4-pentyl-benzamide Openeye Name: N-isopentyl-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-4-pentyl-benzamide CAS Name: N-(3-methylbutyl)-N-[2-oxo-2-(2-thiazolylamino)ethyl]-4-pentylbenzamide IUPAC Name: N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-isoamyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]benzamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC=CS2

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC=CS2

InChI

InChI=1S/C22H31N3O2S/c1-4-5-6-7-18-8-10-19(11-9-18)21(27)25(14-12-17(2)3)16-20(26)24-22-23-13-15-28-22/h8-11,13,15,17H,4-7,12,14,16H2,1-3H3,(H,23,24,26)