2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(2-phenylsulfanylethyl)butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(2-phenylsulfanylethyl)butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(2-phenylsulfanylethyl)butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-[2-(phenylthio)ethyl]butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(2-phenylsulfanylethyl)butanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-[2-(phenylthio)ethyl]butyramide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCSC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CSCCC(C(=O)NCCSC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O3S3/c1-27-13-11-17(20(24)21-12-14-28-15-7-3-2-4-8-15)22-19-16-9-5-6-10-18(16)29(25,26)23-19/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,23)