N-[2-(4-fluorophenyl)-3-oxidanylidene-3-[(phenylmethyl)amino]-1-thiophen-2-yl-propyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-(4-fluorophenyl)-3-oxidanylidene-3-[(phenylmethyl)amino]-1-thiophen-2-yl-propyl]pyrazine-2-carboxamide Openeye Name: N-[3-(benzylamino)-2-(4-fluorophenyl)-3-oxo-1-(2-thienyl)propyl]pyrazine-2-carboxamide CAS Name: N-[2-(4-fluorophenyl)-3-oxo-3-[(phenylmethyl)amino]-1-thiophen-2-ylpropyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(benzylamino)-2-(4-fluorophenyl)-3-oxo-1-thiophen-2-ylpropyl]pyrazine-2-carboxamide Traditional Name: N-[3-(benzylamino)-2-(4-fluorophenyl)-3-keto-1-(2-thienyl)propyl]pyrazinamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)F)C(C3=CC=CS3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)F)C(C3=CC=CS3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C25H21FN4O2S/c26-19-10-8-18(9-11-19)22(25(32)29-15-17-5-2-1-3-6-17)23(21-7-4-14-33-21)30-24(31)20-16-27-12-13-28-20/h1-14,16,22-23H,15H2,(H,29,32)(H,30,31)