2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-[(1-morpholinocyclohexyl)methyl]acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[[1-(4-morpholinyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-[(1-morpholinocyclohexyl)methyl]acetamide Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2(CCCCC2)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC2(CCCCC2)N3CCOCC3

InChI

InChI=1S/C22H33N3O3S/c1-18-6-5-7-19(14-18)24-21(27)16-29-15-20(26)23-17-22(8-3-2-4-9-22)25-10-12-28-13-11-25/h5-7,14H,2-4,8-13,15-17H2,1H3,(H,23,26)(H,24,27)