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

Systemtic Name: 4-azanyl-N5-[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]isothiazole-3,5-dicarboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C21H27N5O3S/c1-13(20(28)24-15-10-6-3-7-11-15)26(12-14-8-4-2-5-9-14)21(29)18-16(22)17(19(23)27)25-30-18/h2,4-5,8-9,13,15H,3,6-7,10-12,22H2,1H3,(H2,23,27)(H,24,28)/t13-/m0/s1