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

Systemtic Name: ethyl 4-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S2/c1-2-29-23(28)26-13-11-18(12-14-26)24-21(27)17-9-7-16(8-10-17)15-30-22-25-19-5-3-4-6-20(19)31-22/h3-10,18H,2,11-15H2,1H3,(H,24,27)