N-[5-(4-cyclohexylpiperazin-1-yl)carbonyl-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-(4-cyclohexylpiperazin-1-yl)carbonyl-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-fluoranyl-benzamide Openeye Name: N-[5-(4-cyclohexylpiperazine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-fluoro-benzamide CAS Name: N-[5-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-fluorobenzamide IUPAC Name: N-[5-(4-cyclohexylpiperazine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-fluorobenzamide Traditional Name: N-[5-(4-cyclohexylpiperazine-1-carbonyl)-7-keto-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-3-fluoro-benzamide Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3CC4=C(C(=O)C3)SC(=N4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3CC4=C(C(=O)C3)SC(=N4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H29FN4O3S/c26-18-6-4-5-16(13-18)23(32)28-25-27-20-14-17(15-21(31)22(20)34-25)24(33)30-11-9-29(10-12-30)19-7-2-1-3-8-19/h4-6,13,17,19H,1-3,7-12,14-15H2,(H,27,28,32)