N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-propan-2-ylsulfonyl-benzamide Openeye Name: 4-isopropylsulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-propan-2-ylsulfonylbenzamide Traditional Name: 4-isopropylsulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

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