4-azanyl-N5-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-N5-phenyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-N5-phenylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]-N'-phenyl-isothiazole-3,5-dicarboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C21H21N5O3S/c1-13(20(28)24-12-14-8-4-2-5-9-14)26(15-10-6-3-7-11-15)21(29)18-16(22)17(19(23)27)25-30-18/h2-11,13H,12,22H2,1H3,(H2,23,27)(H,24,28)/t13-/m0/s1