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

Systemtic Name: 4-azanyl-N5-(4-butoxyphenyl)-N5-[(2R)-1-(cyclopentylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(1R)-1-(cyclopentylcarbamoyl)-3-methyl-butyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(4-butoxyphenyl)-5-N-[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(4-butoxyphenyl)-N'-[(1R)-1-(cyclopentylcarbamoyl)-3-methyl-butyl]isothiazole-3,5-dicarboxamide Formula: C26H37N5O4S MolecularWeight: 515.66808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O4S/c1-4-5-14-35-19-12-10-18(11-13-19)31(26(34)23-21(27)22(24(28)32)30-36-23)20(15-16(2)3)25(33)29-17-8-6-7-9-17/h10-13,16-17,20H,4-9,14-15,27H2,1-3H3,(H2,28,32)(H,29,33)/t20-/m1/s1