N-[4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]phenyl]-3-methyl-butyramide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C21H22N2O2S2/c1-14(2)11-20(25)22-17-9-7-15(8-10-17)19(24)13-27-21-23-18-6-4-3-5-16(18)12-26-21/h3-10,14H,11-13H2,1-2H3,(H,22,25)