N'-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyl-butanediamide

Systemtic Name: N'-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyl-butanediamide Openeye Name: N'-[2-(cyclohexylamino)-2-oxo-ethyl]-N-(4-methylthiazol-2-yl)-N'-phenyl-butanediamide CAS Name: N'-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methyl-2-thiazolyl)-N'-phenylbutanediamide IUPAC Name: N'-[2-(cyclohexylamino)-2-oxoethyl]-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenylbutanediamide Traditional Name: N'-[2-(cyclohexylamino)-2-keto-ethyl]-N-(4-methylthiazol-2-yl)-N'-phenyl-succinamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3S/c1-16-15-30-22(23-16)25-19(27)12-13-21(29)26(18-10-6-3-7-11-18)14-20(28)24-17-8-4-2-5-9-17/h3,6-7,10-11,15,17H,2,4-5,8-9,12-14H2,1H3,(H,24,28)(H,23,25,27)