4-azanyl-N5-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-pentan-2-yl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-pentan-2-yl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-1-(cyclohexylcarbamoyl)butyl]-N5-phenethyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(cyclohexylamino)-1-oxopentan-2-yl]-N5-phenethylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2S)-1-(cyclohexylamino)-1-oxopentan-2-yl]-5-N-phenethyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-1-(cyclohexylcarbamoyl)butyl]-N'-phenethyl-isothiazole-3,5-dicarboxamide Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1CCCCC1)N(CCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCC[C@@H](C(=O)NC1CCCCC1)N(CCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C24H33N5O3S/c1-2-9-18(23(31)27-17-12-7-4-8-13-17)29(15-14-16-10-5-3-6-11-16)24(32)21-19(25)20(22(26)30)28-33-21/h3,5-6,10-11,17-18H,2,4,7-9,12-15,25H2,1H3,(H2,26,30)(H,27,31)/t18-/m0/s1