4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]butanamide

Systemtic Name: 4-(4-methylsulfanylphenyl)-4-oxidanylidene-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]butanamide Openeye Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]butanamide CAS Name: 4-[4-(methylthio)phenyl]-4-oxo-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethyl]butanamide IUPAC Name: 4-(4-methylsulfanylphenyl)-4-oxo-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]butanamide Traditional Name: 4-keto-N-[2-[(3-keto-4H-1,4-benzothiazin-2-yl)thio]ethyl]-4-[4-(methylthio)phenyl]butyramide Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S3/c1-27-15-8-6-14(7-9-15)17(24)10-11-19(25)22-12-13-28-21-20(26)23-16-4-2-3-5-18(16)29-21/h2-9,21H,10-13H2,1H3,(H,22,25)(H,23,26)