4-azanyl-N5-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-N5-cyclopentyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-N5-cyclopentyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-2-oxo-1-(p-tolyl)ethyl]-N5-cyclopentyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N5-cyclopentylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-cyclopentyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[(1S)-2-(cyclohexylamino)-2-keto-1-(p-tolyl)ethyl]-N'-cyclopentyl-isothiazole-3,5-dicarboxamide Formula: C25H33N5O3S MolecularWeight: 483.62622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3CCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C25H33N5O3S/c1-15-11-13-16(14-12-15)21(24(32)28-17-7-3-2-4-8-17)30(18-9-5-6-10-18)25(33)22-19(26)20(23(27)31)29-34-22/h11-14,17-18,21H,2-10,26H2,1H3,(H2,27,31)(H,28,32)/t21-/m0/s1