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

Systemtic Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-3-chlorophenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chlorophenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-3-chloro-phenyl]-2-(phenylthio)nicotinamide Formula: C27H29ClN4O2S MolecularWeight: 509.06276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)Cl)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)Cl)CN

InChI

InChI=1S/C27H29ClN4O2S/c28-24-15-20(11-12-22(24)25(33)31-17-19-7-4-6-18(14-19)16-29)32-26(34)23-10-5-13-30-27(23)35-21-8-2-1-3-9-21/h1-3,5,8-13,15,18-19H,4,6-7,14,16-17,29H2,(H,31,33)(H,32,34)