methyl 4-oxidanylidene-4-[4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidin-1-yl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidin-1-yl]butanoate Openeye Name: methyl 4-[4-[[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[[oxo-[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methyl]amino]-1-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[4-[[propan-2-yl-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidin-1-yl]butanoate Traditional Name: 4-[4-[[isopropyl-(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]amino]piperidino]-4-keto-butyric acid methyl ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S2/c1-13(2)25(15-4-5-16-17(12-15)31-21(30)23-16)20(28)22-14-8-10-24(11-9-14)18(26)6-7-19(27)29-3/h4-5,12-14H,6-11H2,1-3H3,(H,22,28)(H,23,30)