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

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-(4-ethylphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-2-oxo-ethyl]-N3-cyclohexyl-N5-(4-ethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-(4-ethylphenyl)-N5-[2-oxo-2-[(phenylmethyl)amino]ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-2-oxoethyl]-3-N-cyclohexyl-5-N-(4-ethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-ethyl]-N-cyclohexyl-N'-(4-ethylphenyl)isothiazole-3,5-dicarboxamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)NC4CCCCC4)N

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NCC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)NC4CCCCC4)N

InChI

InChI=1S/C28H33N5O3S/c1-2-19-13-15-22(16-14-19)33(18-23(34)30-17-20-9-5-3-6-10-20)28(36)26-24(29)25(32-37-26)27(35)31-21-11-7-4-8-12-21/h3,5-6,9-10,13-16,21H,2,4,7-8,11-12,17-18,29H2,1H3,(H,30,34)(H,31,35)