3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea

Systemtic Name: 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 3-[1-(3-fluorophenyl)sulfonyl-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-[1-(3-fluorophenyl)sulfonyl-4-piperidinyl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 3-[1-(3-fluorophenyl)sulfonyl-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C22H25FN4O3S3 MolecularWeight: 508.652303

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)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)NC3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C22H25FN4O3S3/c1-14(2)27(17-6-7-19-20(13-17)32-22(31)25-19)21(28)24-16-8-10-26(11-9-16)33(29,30)18-5-3-4-15(23)12-18/h3-7,12-14,16H,8-11H2,1-2H3,(H,24,28)(H,25,31)