2-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylsulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylsulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylsulfanyl]-N-phenyl-acetamide CAS Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylthio]-N-phenylacetamide IUPAC Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylsulfanyl]-N-phenylacetamide Traditional Name: 2-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylthio]-N-phenyl-acetamide Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCC2=CC(=CC3=C2NC(=O)C(=O)N3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCC2=CC(=CC3=C2NC(=O)C(=O)N3)Br

InChI

InChI=1S/C17H14BrN3O3S/c18-11-6-10(15-13(7-11)20-16(23)17(24)21-15)8-25-9-14(22)19-12-4-2-1-3-5-12/h1-7H,8-9H2,(H,19,22)(H,20,23)(H,21,24)