N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(propan-2-ylthio)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O3S3/c1-11(2)24-15-7-5-4-6-13(15)17(21)20-18-19-14-9-8-12(26(3,22)23)10-16(14)25-18/h4-11H,1-3H3,(H,19,20,21)