4-azanyl-N5-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]-N5-phenyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N5-phenylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-amylamino)-2-keto-ethyl]-N'-phenyl-isothiazole-3,5-dicarboxamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CN(C1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCC(C)(C)NC(=O)CN(C1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C18H23N5O3S/c1-4-18(2,3)21-12(24)10-23(11-8-6-5-7-9-11)17(26)15-13(19)14(16(20)25)22-27-15/h5-9H,4,10,19H2,1-3H3,(H2,20,25)(H,21,24)