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

Systemtic Name: N-(4-methyl-2-morpholin-4-yl-pentyl)-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-(4-methyl-2-morpholino-pentyl)acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[4-methyl-2-(4-morpholinyl)pentyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-(4-methyl-2-morpholino-pentyl)acetamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(CC(C)C)N2CCOCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(CC(C)C)N2CCOCC2

InChI

InChI=1S/C21H33N3O3S/c1-16(2)11-19(24-7-9-27-10-8-24)13-22-20(25)14-28-15-21(26)23-18-6-4-5-17(3)12-18/h4-6,12,16,19H,7-11,13-15H2,1-3H3,(H,22,25)(H,23,26)