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

Systemtic Name: 4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N5-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxo-ethyl]-N5-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxoethyl]-N5-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclohexylamino)-2-keto-ethyl]-N'-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(CC(=O)NC2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N)C

InChI

InChI=1S/C21H27N5O3S/c1-12-7-6-10-15(13(12)2)26(11-16(27)24-14-8-4-3-5-9-14)21(29)19-17(22)18(20(23)28)25-30-19/h6-7,10,14H,3-5,8-9,11,22H2,1-2H3,(H2,23,28)(H,24,27)