2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-quinolin-3-yl-benzamide

Systemtic Name: 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-quinolin-3-yl-benzamide Openeye Name: 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-N-(3-quinolyl)benzamide CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-N-(3-quinolinyl)benzamide IUPAC Name: 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-quinolin-3-ylbenzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-(3-quinolyl)benzamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H27N3O2S/c29-24(27-15-18-8-2-1-3-9-18)17-31-23-13-7-5-11-21(23)25(30)28-20-14-19-10-4-6-12-22(19)26-16-20/h4-7,10-14,16,18H,1-3,8-9,15,17H2,(H,27,29)(H,28,30)