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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propylsulfanyl-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propylsulfanyl-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(propylthio)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propylsulfanylbenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(propylthio)benzamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O3S3/c1-3-10-24-15-7-5-4-6-13(15)17(21)20-18-19-14-9-8-12(26(2,22)23)11-16(14)25-18/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)