N-[3-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[3-azanylpropyl-(3-fluorophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-aminopropyl-[(3-fluorophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-aminopropyl-(3-fluorobenzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C22H21ClFN3O2S/c23-19-8-7-18(26-21(28)20-6-2-11-30-20)13-16(19)14-27(10-3-9-25)22(29)15-4-1-5-17(24)12-15/h1-2,4-8,11-13H,3,9-10,14,25H2,(H,26,28)