N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-3-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]thiophene-2-carboxamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)Cl)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)Cl)CN

InChI

InChI=1S/C20H24ClN3O2S/c21-17-10-15(24-20(26)18-5-2-8-27-18)6-7-16(17)19(25)23-12-14-4-1-3-13(9-14)11-22/h2,5-8,10,13-14H,1,3-4,9,11-12,22H2,(H,23,25)(H,24,26)