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

Systemtic Name: 4-azanyl-N5-(4-butoxyphenyl)-N5-[(1S)-2-(tert-butylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(1S)-2-(tert-butylamino)-2-oxo-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(1S)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(4-butoxyphenyl)-5-N-[(1S)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(4-butoxyphenyl)-N'-[(1S)-2-(tert-butylamino)-2-keto-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C25H31N5O4S2 MolecularWeight: 529.67474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC(C)(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N([C@H](C2=CC=CS2)C(=O)NC(C)(C)C)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C25H31N5O4S2/c1-5-6-13-34-16-11-9-15(10-12-16)30(24(33)21-18(26)19(22(27)31)29-36-21)20(17-8-7-14-35-17)23(32)28-25(2,3)4/h7-12,14,20H,5-6,13,26H2,1-4H3,(H2,27,31)(H,28,32)/t20-/m1/s1