N-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C20H14ClFN4O2S MolecularWeight: 428.867163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H14ClFN4O2S/c21-14-10-13(4-5-15(14)22)24-18(27)11-23-19(28)12-3-6-16-17(9-12)29-20(25-16)26-7-1-2-8-26/h1-10H,11H2,(H,23,28)(H,24,27)