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

Systemtic Name: 3-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 3-[1-(4-cyanophenyl)sulfonyl-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 3-[1-(4-cyanophenyl)sulfonyl-4-piperidyl]-1-isopropyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea Formula: C23H25N5O3S3 MolecularWeight: 515.6713

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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)C#N

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)C#N

InChI

InChI=1S/C23H25N5O3S3/c1-15(2)28(18-5-8-20-21(13-18)33-23(32)26-20)22(29)25-17-9-11-27(12-10-17)34(30,31)19-6-3-16(14-24)4-7-19/h3-8,13,15,17H,9-12H2,1-2H3,(H,25,29)(H,26,32)