N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-keto-1,3-benzothiazol-3-yl)propionamide Formula: C18H12F6N2O2S MolecularWeight: 434.355499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H12F6N2O2S/c19-17(20,21)10-7-11(18(22,23)24)9-12(8-10)25-15(27)5-6-26-13-3-1-2-4-14(13)29-16(26)28/h1-4,7-9H,5-6H2,(H,25,27)