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

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

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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=C(C=C4)F

Isomeric SMILES

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

InChI

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