4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[2-(cyclohexylamino)-2-keto-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C24H27N5O3S2 MolecularWeight: 497.63288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C24H27N5O3S2/c25-18-19(22(26)30)28-34-21(18)24(32)29(14-15-8-3-1-4-9-15)20(17-12-7-13-33-17)23(31)27-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,20H,2,5-6,10-11,14,25H2,(H2,26,30)(H,27,31)