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

Systemtic Name: N-(4-methyl-2-morpholin-4-yl-pentyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(4-methyl-2-morpholino-pentyl)propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[4-methyl-2-(4-morpholinyl)pentyl]propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(4-methyl-2-morpholino-pentyl)propionamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S/c1-16(2)13-20(25-9-11-28-12-10-25)14-23-22(27)18(4)29-15-21(26)24-19-7-5-17(3)6-8-19/h5-8,16,18,20H,9-15H2,1-4H3,(H,23,27)(H,24,26)