2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C20H16N4O3S3 MolecularWeight: 456.56104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4CS3

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4CS3

InChI

InChI=1S/C20H16N4O3S3/c1-12(30-20-22-16-8-3-2-5-14(16)10-29-20)18(25)23-19-21-17(11-28-19)13-6-4-7-15(9-13)24(26)27/h2-9,11-12H,10H2,1H3,(H,21,23,25)