4-azanyl-N3-cyclohexyl-N5-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N3-cyclohexyl-N5-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-3-N-cyclohexyl-5-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N-cyclohexyl-N'-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]isothiazole-3,5-dicarboxamide Formula: C32H38FN5O3S MolecularWeight: 591.739223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(CC3=CC=CC=C3)C(C4=CC=C(C=C4)F)C(=O)NC5CCCCC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(CC3=CC=CC=C3)C(C4=CC=C(C=C4)F)C(=O)NC5CCCCC5

InChI

InChI=1S/C32H38FN5O3S/c33-23-18-16-22(17-19-23)28(31(40)36-25-14-8-3-9-15-25)38(20-21-10-4-1-5-11-21)32(41)29-26(34)27(37-42-29)30(39)35-24-12-6-2-7-13-24/h1,4-5,10-11,16-19,24-25,28H,2-3,6-9,12-15,20,34H2,(H,35,39)(H,36,40)