4-butyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-butyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-butyl-N-isopentyl-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]benzamide CAS Name: 4-butyl-N-(3-methylbutyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]benzamide IUPAC Name: 4-butyl-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide Traditional Name: 4-butyl-N-isoamyl-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]benzamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC(=CS2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NC(=CS2)C

InChI

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