4-azanyl-N5-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(1S)-2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]-N5-(4-methoxyphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(4-methoxyphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(cyclohexylamino)-2-keto-1-(2-thienyl)ethyl]-N'-(4-methoxyphenyl)isothiazole-3,5-dicarboxamide Formula: C24H27N5O4S2 MolecularWeight: 513.63228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

COC1=CC=C(C=C1)N([C@H](C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C24H27N5O4S2/c1-33-16-11-9-15(10-12-16)29(24(32)21-18(25)19(22(26)30)28-35-21)20(17-8-5-13-34-17)23(31)27-14-6-3-2-4-7-14/h5,8-14,20H,2-4,6-7,25H2,1H3,(H2,26,30)(H,27,31)/t20-/m1/s1