ethyl 4-[(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamoylsulfanyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamoylsulfanyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-tert-butyl-5-(1-piperidyl)-1,3-benzothiazol-6-yl]carbamoylsulfanyl]piperazine-1-carboxylate CAS Name: 4-[[[[2-tert-butyl-5-(1-piperidinyl)-1,3-benzothiazol-6-yl]amino]-oxomethyl]thio]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamoylsulfanyl]piperazine-1-carboxylate Traditional Name: 4-[(2-tert-butyl-5-piperidino-1,3-benzothiazol-6-yl)carbamoylthio]piperazine-1-carboxylic acid ethyl ester Formula: C24H35N5O3S2 MolecularWeight: 505.6964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)SC(=O)NC2=C(C=C3C(=C2)SC(=N3)C(C)(C)C)N4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)SC(=O)NC2=C(C=C3C(=C2)SC(=N3)C(C)(C)C)N4CCCCC4

InChI

InChI=1S/C24H35N5O3S2/c1-5-32-23(31)28-11-13-29(14-12-28)34-22(30)26-17-16-20-18(25-21(33-20)24(2,3)4)15-19(17)27-9-7-6-8-10-27/h15-16H,5-14H2,1-4H3,(H,26,30)