N-butyl-2-[[butyl-[(2S)-2-chloranyl-2-phenyl-ethanoyl]amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[butyl-[(2S)-2-chloranyl-2-phenyl-ethanoyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[butyl-[(2S)-2-chloro-2-phenyl-acetyl]amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[butyl-[(2S)-2-chloro-1-oxo-2-phenylethyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[butyl-[(2S)-2-chloro-2-phenylacetyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[butyl-[(2S)-2-chloro-2-phenyl-acetyl]amino]methyl]thiazole-4-carboxamide Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)C(C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCCC)C(=O)[C@H](C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H28ClN3O2S/c1-3-5-12-23-20(26)17-15-28-18(24-17)14-25(13-6-4-2)21(27)19(22)16-10-8-7-9-11-16/h7-11,15,19H,3-6,12-14H2,1-2H3,(H,23,26)/t19-/m0/s1