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

Systemtic Name: 3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Openeye Name: 1-isopropyl-3-[1-(m-tolylsulfonyl)-4-piperidyl]-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea CAS Name: 3-[1-(3-methylphenyl)sulfonyl-4-piperidinyl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea IUPAC Name: 3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea Traditional Name: 1-isopropyl-3-[1-(m-tolylsulfonyl)-4-piperidyl]-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:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)N(C3=CC4=C(C=C3)NC(=S)S4)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)NC(=O)N(C3=CC4=C(C=C3)NC(=S)S4)C(C)C

InChI

InChI=1S/C23H28N4O3S3/c1-15(2)27(18-7-8-20-21(14-18)32-23(31)25-20)22(28)24-17-9-11-26(12-10-17)33(29,30)19-6-4-5-16(3)13-19/h4-8,13-15,17H,9-12H2,1-3H3,(H,24,28)(H,25,31)