4-azanyl-N-[(2-chlorophenyl)methyl]-5-(4-cyclohexylpiperazin-1-yl)carbonyl-1,2-thiazole-3-carboxamide

Systemtic Name: 4-azanyl-N-[(2-chlorophenyl)methyl]-5-(4-cyclohexylpiperazin-1-yl)carbonyl-1,2-thiazole-3-carboxamide Openeye Name: 4-amino-N-[(2-chlorophenyl)methyl]-5-(4-cyclohexylpiperazine-1-carbonyl)isothiazole-3-carboxamide CAS Name: 4-amino-N-[(2-chlorophenyl)methyl]-5-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3-isothiazolecarboxamide IUPAC Name: 4-amino-N-[(2-chlorophenyl)methyl]-5-(4-cyclohexylpiperazine-1-carbonyl)-1,2-thiazole-3-carboxamide Traditional Name: 4-amino-N-(2-chlorobenzyl)-5-(4-cyclohexylpiperazine-1-carbonyl)isothiazole-3-carboxamide Formula: C22H28ClN5O2S MolecularWeight: 462.00802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4Cl)N

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C22H28ClN5O2S/c23-17-9-5-4-6-15(17)14-25-21(29)19-18(24)20(31-26-19)22(30)28-12-10-27(11-13-28)16-7-2-1-3-8-16/h4-6,9,16H,1-3,7-8,10-14,24H2,(H,25,29)