4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(tert-butylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-cyclohexylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(4-cyclohexylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(4-cyclohexylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-butylamino)-2-keto-1-(2-thienyl)ethyl]-N'-(4-cyclohexylphenyl)isothiazole-3,5-dicarboxamide Formula: C27H33N5O3S2 MolecularWeight: 539.71262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC=C(C=C2)C3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC=C(C=C2)C3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C27H33N5O3S2/c1-27(2,3)30-25(34)22(19-10-7-15-36-19)32(26(35)23-20(28)21(24(29)33)31-37-23)18-13-11-17(12-14-18)16-8-5-4-6-9-16/h7,10-16,22H,4-6,8-9,28H2,1-3H3,(H2,29,33)(H,30,34)