4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N5-(2,4-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N5-(2,4-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxo-ethyl]-N5-(2,4-dimethoxyphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxoethyl]-N5-(2,4-dimethoxyphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2,4-dimethoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclohexylamino)-2-keto-ethyl]-N'-(2,4-dimethoxyphenyl)isothiazole-3,5-dicarboxamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N)OC

InChI

InChI=1S/C21H27N5O5S/c1-30-13-8-9-14(15(10-13)31-2)26(11-16(27)24-12-6-4-3-5-7-12)21(29)19-17(22)18(20(23)28)25-32-19/h8-10,12H,3-7,11,22H2,1-2H3,(H2,23,28)(H,24,27)