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

Systemtic Name: 4-azanyl-N5-(4-methylphenyl)-N5-[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(benzylcarbamoyl)propyl]-N5-(p-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-methylphenyl)-N5-[1-oxo-1-[(phenylmethyl)amino]butan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(benzylamino)-1-oxobutan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(benzylcarbamoyl)propyl]-N'-(p-tolyl)isothiazole-3,5-dicarboxamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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