N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonyl-benzamide Openeye Name: 3-isopropylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide Traditional Name: 3-isopropylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=CC=C3SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=CC=C3SC

InChI

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