(4-chlorophenyl)methyl 4-[3-oxidanylidene-3-(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)propyl]piperazine-1-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 4-[3-oxidanylidene-3-(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)propyl]piperazine-1-carboxylate Openeye Name: (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-oxo-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propyl]-1-piperazinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzothiazol-6-yl)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-3-(2-keto-3H-1,3-benzothiazol-6-yl)propyl]piperazine-1-carboxylic acid (4-chlorobenzyl) ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)NC(=O)S3)C(=O)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)NC(=O)S3)C(=O)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O4S/c23-17-4-1-15(2-5-17)14-30-22(29)26-11-9-25(10-12-26)8-7-19(27)16-3-6-18-20(13-16)31-21(28)24-18/h1-6,13H,7-12,14H2,(H,24,28)