ethyl 4-[(5-piperidin-1-yl-1,3-benzothiazol-2-yl)carbamoylsulfanyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(5-piperidin-1-yl-1,3-benzothiazol-2-yl)carbamoylsulfanyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(1-piperidyl)-1,3-benzothiazol-2-yl]carbamoylsulfanyl]piperazine-1-carboxylate CAS Name: 4-[[oxo-[[5-(1-piperidinyl)-1,3-benzothiazol-2-yl]amino]methyl]thio]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-piperidin-1-yl-1,3-benzothiazol-2-yl)carbamoylsulfanyl]piperazine-1-carboxylate Traditional Name: 4-[(5-piperidino-1,3-benzothiazol-2-yl)carbamoylthio]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)SC(=O)NC2=NC3=C(S2)C=CC(=C3)N4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)SC(=O)NC2=NC3=C(S2)C=CC(=C3)N4CCCCC4

InChI

InChI=1S/C20H27N5O3S2/c1-2-28-20(27)24-10-12-25(13-11-24)30-19(26)22-18-21-16-14-15(6-7-17(16)29-18)23-8-4-3-5-9-23/h6-7,14H,2-5,8-13H2,1H3,(H,21,22,26)