4-azanyl-N5-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]-N5-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]-N5-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1R)-1-(cyclohexylcarbamoyl)propyl]-N5-(4-ethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(2R)-1-(cyclohexylamino)-1-oxobutan-2-yl]-N5-(4-ethylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(2R)-1-(cyclohexylamino)-1-oxobutan-2-yl]-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1R)-1-(cyclohexylcarbamoyl)propyl]-N'-(4-ethylphenyl)isothiazole-3,5-dicarboxamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C(CC)C(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCC1=CC=C(C=C1)N([C@H](CC)C(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C23H31N5O3S/c1-3-14-10-12-16(13-11-14)28(23(31)20-18(24)19(21(25)29)27-32-20)17(4-2)22(30)26-15-8-6-5-7-9-15/h10-13,15,17H,3-9,24H2,1-2H3,(H2,25,29)(H,26,30)/t17-/m1/s1