4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-(2-methyl-2-morpholin-4-yl-propyl)benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-(2-methyl-2-morpholin-4-yl-propyl)benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(2-methyl-2-morpholino-propyl)benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[2-methyl-2-(4-morpholinyl)propyl]benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-(2-methyl-2-morpholino-propyl)benzamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C)N3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C)N3CCOCC3

InChI

InChI=1S/C21H29N5O3S/c1-21(2,26-10-12-29-13-11-26)15-23-19(28)16-4-6-17(7-5-16)24-18(27)14-30-20-22-8-9-25(20)3/h4-9H,10-15H2,1-3H3,(H,23,28)(H,24,27)