N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[[3-(aminomethyl)benzyl]-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C27H24FN3O2S MolecularWeight: 473.561763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN(CC2=CC=CC(=C2)CN)C(=O)C3=CC(=CC=C3)F)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)CN(CC2=CC=CC(=C2)CN)C(=O)C3=CC(=CC=C3)F)NC(=O)C4=CC=CS4

InChI

InChI=1S/C27H24FN3O2S/c28-23-10-4-9-21(15-23)27(33)31(17-20-7-3-6-19(14-20)16-29)18-22-8-1-2-11-24(22)30-26(32)25-12-5-13-34-25/h1-15H,16-18,29H2,(H,30,32)