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

Systemtic Name: 4-azanyl-N5-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-N5-phenethyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-N5-phenethyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N5-phenethylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-5-N-phenethyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-N'-phenethyl-isothiazole-3,5-dicarboxamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3S/c1-14(21(29)25-16-10-6-3-7-11-16)27(13-12-15-8-4-2-5-9-15)22(30)19-17(23)18(20(24)28)26-31-19/h2,4-5,8-9,14,16H,3,6-7,10-13,23H2,1H3,(H2,24,28)(H,25,29)/t14-/m0/s1