N-[3-[1,3-benzothiazol-2-yl-(3-fluoranyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1,3-benzothiazol-2-yl-(3-fluoranyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]thiophene-2-carboxamide Openeye Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3-fluoro-4-methyl-anilino]-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3-fluoro-4-methylanilino]-3-oxopropyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3-fluoro-4-methylanilino]-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-[N-(1,3-benzothiazol-2-yl)-3-fluoro-4-methyl-anilino]-3-keto-propyl]thiophene-2-carboxamide Formula: C22H18FN3O2S2 MolecularWeight: 439.525623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=CS4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)CCNC(=O)C4=CC=CS4)F

InChI

InChI=1S/C22H18FN3O2S2/c1-14-8-9-15(13-16(14)23)26(22-25-17-5-2-3-6-18(17)30-22)20(27)10-11-24-21(28)19-7-4-12-29-19/h2-9,12-13H,10-11H2,1H3,(H,24,28)