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

Systemtic Name: 4-azanyl-N5-(4-butoxyphenyl)-N5-[(2S)-1-(cyclopentylamino)-1-oxidanylidene-hexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(1S)-1-(cyclopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-butoxyphenyl)-N5-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(4-butoxyphenyl)-5-N-[(2S)-1-(cyclopentylamino)-1-oxohexan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(4-butoxyphenyl)-N'-[(1S)-1-(cyclopentylcarbamoyl)pentyl]isothiazole-3,5-dicarboxamide Formula: C26H37N5O4S MolecularWeight: 515.66808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OCCCC)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCCC[C@@H](C(=O)NC1CCCC1)N(C2=CC=C(C=C2)OCCCC)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C26H37N5O4S/c1-3-5-11-20(25(33)29-17-9-7-8-10-17)31(18-12-14-19(15-13-18)35-16-6-4-2)26(34)23-21(27)22(24(28)32)30-36-23/h12-15,17,20H,3-11,16,27H2,1-2H3,(H2,28,32)(H,29,33)/t20-/m0/s1