(4-chlorophenyl)methyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate Openeye Name: (4-chlorophenyl)methyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)thiazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-[(2H-benzotriazol-5-ylamino)-oxomethyl]-2-thiazolyl]-1-piperazinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(2H-benzotriazol-5-ylcarbamoyl)thiazol-2-yl]piperazine-1-carboxylic acid (4-chlorobenzyl) ester Formula: C22H20ClN7O3S MolecularWeight: 497.9573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=CS2)C(=O)NC3=CC4=NNN=C4C=C3)C(=O)OCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=NC(=CS2)C(=O)NC3=CC4=NNN=C4C=C3)C(=O)OCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H20ClN7O3S/c23-15-3-1-14(2-4-15)12-33-22(32)30-9-7-29(8-10-30)21-25-19(13-34-21)20(31)24-16-5-6-17-18(11-16)27-28-26-17/h1-6,11,13H,7-10,12H2,(H,24,31)(H,26,27,28)