N-(1,3-benzothiazol-2-yl)-7-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-7-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-7-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-7-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-7-[4-(3-chlorobenzoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxamide Formula: C31H25ClFN5O3S MolecularWeight: 602.078303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)F)C(=O)NC6=NC7=CC=CC=C7S6

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)F)C(=O)NC6=NC7=CC=CC=C7S6

InChI

InChI=1S/C31H25ClFN5O3S/c32-19-5-3-4-18(14-19)30(41)37-12-10-36(11-13-37)26-16-25-21(15-23(26)33)28(39)22(17-38(25)20-8-9-20)29(40)35-31-34-24-6-1-2-7-27(24)42-31/h1-7,14-17,20H,8-13H2,(H,34,35,40)