N-[4-[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]carbamoyl]-3-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]carbamoyl]-3-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-3-chloro-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]-oxomethyl]-3-chlorophenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-3-chlorophenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-3-chloro-phenyl]-2-(phenylthio)nicotinamide Formula: C32H37ClN4O2S MolecularWeight: 577.17978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC2CCC(CC2)NC(=O)C3=C(C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5)Cl)N

Isomeric SMILES

C1CC(CCC1CC2CCC(CC2)NC(=O)C3=C(C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5)Cl)N

InChI

InChI=1S/C32H37ClN4O2S/c33-29-20-25(37-31(39)28-7-4-18-35-32(28)40-26-5-2-1-3-6-26)16-17-27(29)30(38)36-24-14-10-22(11-15-24)19-21-8-12-23(34)13-9-21/h1-7,16-18,20-24H,8-15,19,34H2,(H,36,38)(H,37,39)