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

Systemtic Name: 3-[1-(phenylmethyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 3-(1-benzylsulfonyl-4-piperidyl)-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-[1-(phenylmethyl)sulfonyl-4-piperidinyl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-(1-benzylsulfonylpiperidin-4-yl)-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 3-(1-benzylsulfonyl-4-piperidyl)-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C23H28N4O3S3 MolecularWeight: 504.68842

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N(C1=CC2=C(C=C1)NC(=S)S2)C(=O)NC3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3S3/c1-16(2)27(19-8-9-20-21(14-19)32-23(31)25-20)22(28)24-18-10-12-26(13-11-18)33(29,30)15-17-6-4-3-5-7-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,24,28)(H,25,31)