3-methyl-N-[2-oxidanylidene-2-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]benzamide

Systemtic Name: 3-methyl-N-[2-oxidanylidene-2-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]benzamide Openeye Name: N-[2-[[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-2-oxo-ethyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[2-oxo-2-[[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]ethyl]benzamide IUPAC Name: 3-methyl-N-[2-oxo-2-[[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]amino]ethyl]benzamide Traditional Name: N-[2-[[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]-3-methyl-benzamide Formula: C22H25N3O2S3 MolecularWeight: 459.6478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

InChI

InChI=1S/C22H25N3O2S3/c1-14(2)28-9-10-29-22-25-18-8-7-17(12-19(18)30-22)24-20(26)13-23-21(27)16-6-4-5-15(3)11-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,27)(H,24,26)