ethyl 4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-tert-butyl-6-isothiocyanato-1,3-benzothiazol-5-yl)piperazine-1-carboxylic acid ethyl ester Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)N=C=S

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(S3)C(C)(C)C)N=C=S

InChI

InChI=1S/C19H24N4O2S2/c1-5-25-18(24)23-8-6-22(7-9-23)15-10-14-16(11-13(15)20-12-26)27-17(21-14)19(2,3)4/h10-11H,5-9H2,1-4H3