N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfonyl-benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfonyl-benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfonyl-benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfonylbenzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfonylbenzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-propylsulfonyl-benzamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C18H18N2O3S2/c1-3-10-25(22,23)16-7-5-4-6-13(16)17(21)20-18-19-14-9-8-12(2)11-15(14)24-18/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)