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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]-4-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]-4-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]-4-chloro-phenyl]thiophene-2-carboxamide Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O2S/c26-20-13-12-19(28-24(30)23-11-6-14-32-23)15-18(20)16-29(22-10-5-4-9-21(22)27)25(31)17-7-2-1-3-8-17/h1-3,6-8,11-15,21-22H,4-5,9-10,16,27H2,(H,28,30)