tert-butyl 4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O3S2 MolecularWeight: 450.6179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)NC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)NC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O3S2/c1-13(2)25(15-6-7-16-17(12-15)30-19(29)23-16)18(26)22-14-8-10-24(11-9-14)20(27)28-21(3,4)5/h6-7,12-14H,8-11H2,1-5H3,(H,22,26)(H,23,29)