2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[(6-morpholino-3-pyridyl)methyl]acetamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-[(6-morpholino-3-pyridyl)methyl]acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H26N4O3S/c1-16-2-5-18(6-3-16)24-21(27)15-29-14-20(26)23-13-17-4-7-19(22-12-17)25-8-10-28-11-9-25/h2-7,12H,8-11,13-15H2,1H3,(H,23,26)(H,24,27)