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

Systemtic Name: N-[3-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)CN(CCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)CN(CCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H22FN3O2S/c23-18-7-2-6-17(14-18)22(28)26(11-4-10-24)15-16-5-1-8-19(13-16)25-21(27)20-9-3-12-29-20/h1-3,5-9,12-14H,4,10-11,15,24H2,(H,25,27)