tert-butyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O4S/c1-22(2,3)30-21(28)26-12-10-25(11-13-26)20(27)23-14-15-8-9-17(29-15)19-24-16-6-4-5-7-18(16)31-19/h4-9H,10-14H2,1-3H3,(H,23,27)