N-[3-[[(4-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=CS2)Cl)C3CCC(CC3)N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=CS2)Cl)C3CCC(CC3)N

InChI

InChI=1S/C20H24ClN3O2S/c1-13(25)24(17-7-4-15(22)5-8-17)12-14-11-16(6-9-18(14)21)23-20(26)19-3-2-10-27-19/h2-3,6,9-11,15,17H,4-5,7-8,12,22H2,1H3,(H,23,26)