N-[4-[[4-acetamido-2-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-acetamido-2-(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-acetamido-2-(trifluoromethyl)anilino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[4-acetamido-2-(trifluoromethyl)anilino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-acetamido-2-(trifluoromethyl)anilino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-acetamido-2-(trifluoromethyl)anilino]-4-keto-butyl]thiophene-2-carboxamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CCCNC(=O)C2=CC=CS2)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CCCNC(=O)C2=CC=CS2)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3S/c1-11(25)23-12-6-7-14(13(10-12)18(19,20)21)24-16(26)5-2-8-22-17(27)15-4-3-9-28-15/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,22,27)(H,23,25)(H,24,26)