4-bromanyl-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanyl-pentan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanyl-pentan-2-yl]benzamide Openeye Name: 4-bromo-N-[3-(cyanomethoxymethyl)-1-(ethoxymethoxymethyl)-4-sulfanyl-butyl]benzamide CAS Name: 4-bromo-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-mercaptopentan-2-yl]benzamide IUPAC Name: 4-bromo-N-[4-(cyanomethoxymethyl)-1-(ethoxymethoxy)-5-sulfanylpentan-2-yl]benzamide Traditional Name: 4-bromo-N-[3-(cyanomethoxymethyl)-1-(ethoxymethoxymethyl)-4-mercapto-butyl]benzamide Formula: C18H25BrN2O4S MolecularWeight: 445.3711

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Descriptors Computed from Structure

Canonical SMILES:

CCOCOCC(CC(COCC#N)CS)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCOCOCC(CC(COCC#N)CS)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C18H25BrN2O4S/c1-2-23-13-25-11-17(9-14(12-26)10-24-8-7-20)21-18(22)15-3-5-16(19)6-4-15/h3-6,14,17,26H,2,8-13H2,1H3,(H,21,22)