N-[3-(cyclohexylmethylsulfanyl)-1-[(4-dimethylaminophenyl)methylamino]-1-oxidanylidene-propan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-dimethylaminophenyl)methylamino]-1-oxidanylidene-propan-2-yl]cyclohexanecarboxamide Openeye Name: N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[3-(cyclohexylmethylthio)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-dimethylaminophenyl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]cyclohexanecarboxamide Formula: C26H41N3O2S MolecularWeight: 459.68764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C(CSCC2CCCCC2)NC(=O)C3CCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C(CSCC2CCCCC2)NC(=O)C3CCCCC3

InChI

InChI=1S/C26H41N3O2S/c1-29(2)23-15-13-20(14-16-23)17-27-26(31)24(19-32-18-21-9-5-3-6-10-21)28-25(30)22-11-7-4-8-12-22/h13-16,21-22,24H,3-12,17-19H2,1-2H3,(H,27,31)(H,28,30)