4-azanyl-N5-cyclohexyl-N5-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-cyclohexyl-N5-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-cyclohexyl-N5-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-cyclohexyl-N5-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-cyclohexyl-5-N-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-cyclohexyl-N'-[(1R)-2-(cyclopentylamino)-2-keto-1-(4-methoxyphenyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)NC2CCCC2)N(C3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C(=O)NC2CCCC2)N(C3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C25H33N5O4S/c1-34-18-13-11-15(12-14-18)21(24(32)28-16-7-5-6-8-16)30(17-9-3-2-4-10-17)25(33)22-19(26)20(23(27)31)29-35-22/h11-14,16-17,21H,2-10,26H2,1H3,(H2,27,31)(H,28,32)/t21-/m1/s1