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

Systemtic Name: 4-azanyl-N5-(2,4-dimethylphenyl)-N5-[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-1-methyl-2-oxo-ethyl]-N5-(2,4-dimethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2,4-dimethylphenyl)-N5-[1-oxo-1-[(phenylmethyl)amino]propan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(benzylamino)-1-oxopropan-2-yl]-5-N-(2,4-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-1-methyl-ethyl]-N'-(2,4-dimethylphenyl)isothiazole-3,5-dicarboxamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N)C

InChI

InChI=1S/C23H25N5O3S/c1-13-9-10-17(14(2)11-13)28(23(31)20-18(24)19(21(25)29)27-32-20)15(3)22(30)26-12-16-7-5-4-6-8-16/h4-11,15H,12,24H2,1-3H3,(H2,25,29)(H,26,30)