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

Systemtic Name: 4-azanyl-N5-cyclohexyl-N5-[(1R)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-cyclohexyl-N5-[(1R)-2-(isopentylamino)-2-oxo-1-(p-tolyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-cyclohexyl-N5-[(1R)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-cyclohexyl-5-N-[(1R)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-cyclohexyl-N'-[(1R)-2-(isoamylamino)-2-keto-1-(p-tolyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NCCC(C)C)N(C2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)NCCC(C)C)N(C2CCCCC2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C25H35N5O3S/c1-15(2)13-14-28-24(32)21(17-11-9-16(3)10-12-17)30(18-7-5-4-6-8-18)25(33)22-19(26)20(23(27)31)29-34-22/h9-12,15,18,21H,4-8,13-14,26H2,1-3H3,(H2,27,31)(H,28,32)/t21-/m1/s1