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

Systemtic Name: N-[3-[[3-azanylpropyl(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[3-aminopropyl(benzoyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2S/c23-19-10-9-18(25-21(27)20-8-4-13-29-20)14-17(19)15-26(12-5-11-24)22(28)16-6-2-1-3-7-16/h1-4,6-10,13-14H,5,11-12,15,24H2,(H,25,27)