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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3S/c1-14(2)16-8-10-17(11-9-16)28(13-18(29)26-12-15-6-4-3-5-7-15)23(31)21-19(24)20(22(25)30)27-32-21/h3-11,14H,12-13,24H2,1-2H3,(H2,25,30)(H,26,29)