4-azanyl-N5-(4-butoxyphenyl)-N5-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(4-butoxyphenyl)-N5-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(1R)-1-(cyclopentylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(2R)-1-(cyclopentylamino)-1-oxopentan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(4-butoxyphenyl)-5-N-[(2R)-1-(cyclopentylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(4-butoxyphenyl)-N'-[(1R)-1-(cyclopentylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide Formula: C25H35N5O4S MolecularWeight: 501.6415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C(CCC)C(=O)NC2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N([C@H](CCC)C(=O)NC2CCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C25H35N5O4S/c1-3-5-15-34-18-13-11-17(12-14-18)30(25(33)22-20(26)21(23(27)31)29-35-22)19(8-4-2)24(32)28-16-9-6-7-10-16/h11-14,16,19H,3-10,15,26H2,1-2H3,(H2,27,31)(H,28,32)/t19-/m1/s1