2,3-dimethyl-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]quinoxaline-6-carboxamide

Systemtic Name: 2,3-dimethyl-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]quinoxaline-6-carboxamide Openeye Name: 2,3-dimethyl-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]quinoxaline-6-carboxamide CAS Name: 2,3-dimethyl-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethyl]-6-quinoxalinecarboxamide IUPAC Name: 2,3-dimethyl-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]quinoxaline-6-carboxamide Traditional Name: N-[2-[(3-keto-4H-1,4-benzothiazin-2-yl)thio]ethyl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NCCSC3C(=O)NC4=CC=CC=C4S3)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NCCSC3C(=O)NC4=CC=CC=C4S3)N=C1C

InChI

InChI=1S/C21H20N4O2S2/c1-12-13(2)24-17-11-14(7-8-15(17)23-12)19(26)22-9-10-28-21-20(27)25-16-5-3-4-6-18(16)29-21/h3-8,11,21H,9-10H2,1-2H3,(H,22,26)(H,25,27)