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

Systemtic Name: 4-azanyl-N5-(4-butoxyphenyl)-N5-[(2S)-1-(tert-butylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(1S)-1-(tert-butylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(2S)-1-(tert-butylamino)-1-oxohexan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(4-butoxyphenyl)-5-N-[(2S)-1-(tert-butylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(4-butoxyphenyl)-N'-[(1S)-1-(tert-butylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C25H37N5O4S MolecularWeight: 503.65738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C)(C)C)N(C1=CC=C(C=C1)OCCCC)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC[C@@H](C(=O)NC(C)(C)C)N(C1=CC=C(C=C1)OCCCC)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C25H37N5O4S/c1-6-8-10-18(23(32)28-25(3,4)5)30(16-11-13-17(14-12-16)34-15-9-7-2)24(33)21-19(26)20(22(27)31)29-35-21/h11-14,18H,6-10,15,26H2,1-5H3,(H2,27,31)(H,28,32)/t18-/m0/s1