2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[6-(dimethylamino)pyridin-3-yl]benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[6-(dimethylamino)pyridin-3-yl]benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-[6-(dimethylamino)-3-pyridyl]benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-[6-(dimethylamino)-3-pyridinyl]benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[6-(dimethylamino)pyridin-3-yl]benzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-[6-(dimethylamino)-3-pyridyl]benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CN(C)C1=NC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C23H30N4O2S/c1-27(2)21-13-12-18(15-24-21)26-23(29)19-10-6-7-11-20(19)30-16-22(28)25-14-17-8-4-3-5-9-17/h6-7,10-13,15,17H,3-5,8-9,14,16H2,1-2H3,(H,25,28)(H,26,29)