N-[2-[1-[4-(2-cyano-3-fluoranyl-phenyl)phenyl]ethylamino]-6-methyl-phenyl]thiophene-3-carboxamide

Systemtic Name: N-[2-[1-[4-(2-cyano-3-fluoranyl-phenyl)phenyl]ethylamino]-6-methyl-phenyl]thiophene-3-carboxamide Openeye Name: N-[2-[1-[4-(2-cyano-3-fluoro-phenyl)phenyl]ethylamino]-6-methyl-phenyl]thiophene-3-carboxamide CAS Name: N-[2-[1-[4-(2-cyano-3-fluorophenyl)phenyl]ethylamino]-6-methylphenyl]-3-thiophenecarboxamide IUPAC Name: N-[2-[1-[4-(2-cyano-3-fluorophenyl)phenyl]ethylamino]-6-methylphenyl]thiophene-3-carboxamide Traditional Name: N-[2-[1-[4-(2-cyano-3-fluoro-phenyl)phenyl]ethylamino]-6-methyl-phenyl]thiophene-3-carboxamide Formula: C27H22FN3OS MolecularWeight: 455.546483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(C)C2=CC=C(C=C2)C3=C(C(=CC=C3)F)C#N)NC(=O)C4=CSC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)NC(C)C2=CC=C(C=C2)C3=C(C(=CC=C3)F)C#N)NC(=O)C4=CSC=C4

InChI

InChI=1S/C27H22FN3OS/c1-17-5-3-8-25(26(17)31-27(32)21-13-14-33-16-21)30-18(2)19-9-11-20(12-10-19)22-6-4-7-24(28)23(22)15-29/h3-14,16,18,30H,1-2H3,(H,31,32)