4-azanyl-N3-cyclohexyl-N5-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-N5-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-N5-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-cyclohexyl-N5-[(1S)-1-(isopentylcarbamoyl)-3-methyl-butyl]-N5-(o-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-N5-(2-methylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-cyclohexyl-5-N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-cyclohexyl-N'-[(1S)-1-(isoamylcarbamoyl)-3-methyl-butyl]-N'-(o-tolyl)isothiazole-3,5-dicarboxamide Formula: C29H43N5O3S MolecularWeight: 541.74842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(CC(C)C)C(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N

Isomeric SMILES

CC1=CC=CC=C1N([C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)NC3CCCCC3)N

InChI

InChI=1S/C29H43N5O3S/c1-18(2)15-16-31-27(35)23(17-19(3)4)34(22-14-10-9-11-20(22)5)29(37)26-24(30)25(33-38-26)28(36)32-21-12-7-6-8-13-21/h9-11,14,18-19,21,23H,6-8,12-13,15-17,30H2,1-5H3,(H,31,35)(H,32,36)/t23-/m0/s1