1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-[2-(4-methyl-1-piperazinyl)ethyl]-3-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]urea Traditional Name: 1-[6-(3-mesylphenyl)-1,3-benzothiazol-2-yl]-3-[2-(4-methylpiperazino)ethyl]urea Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O3S2/c1-26-10-12-27(13-11-26)9-8-23-21(28)25-22-24-19-7-6-17(15-20(19)31-22)16-4-3-5-18(14-16)32(2,29)30/h3-7,14-15H,8-13H2,1-2H3,(H2,23,24,25,28)