4-(4-methyl-2-phenylazanyl-pentanethioyl)morpholine-3-carboxylic acid

Systemtic Name: 4-(4-methyl-2-phenylazanyl-pentanethioyl)morpholine-3-carboxylic acid Openeye Name: 4-(2-anilino-4-methyl-pentanethioyl)morpholine-3-carboxylic acid CAS Name: 4-(2-anilino-4-methyl-1-sulfanylidenepentyl)-3-morpholinecarboxylic acid IUPAC Name: 4-(2-anilino-4-methylpentanethioyl)morpholine-3-carboxylic acid Traditional Name: 4-(2-anilino-4-methyl-pentanethioyl)morpholine-3-carboxylic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)N1CCOCC1C(=O)O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=S)N1CCOCC1C(=O)O)NC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3S/c1-12(2)10-14(18-13-6-4-3-5-7-13)16(23)19-8-9-22-11-15(19)17(20)21/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,20,21)