2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C17H15BrN2O4S/c18-11-7-13-14(24-6-5-23-13)8-12(11)20-17(22)10-3-1-2-4-15(10)25-9-16(19)21/h1-4,7-8H,5-6,9H2,(H2,19,21)(H,20,22)