ethyl 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S2/c1-2-28-22(27)25-13-11-24(12-14-25)20(26)17-9-7-16(8-10-17)15-29-21-23-18-5-3-4-6-19(18)30-21/h3-10H,2,11-15H2,1H3