3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-N-(3-methylsulfanylphenyl)propanamide

Systemtic Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-N-(3-methylsulfanylphenyl)propanamide Openeye Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-N-(3-methylsulfanylphenyl)propanamide CAS Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-N-[3-(methylthio)phenyl]propanamide IUPAC Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-N-(3-methylsulfanylphenyl)propanamide Traditional Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]-N-[3-(methylthio)phenyl]propionamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)CCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)CCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C18H18N2O3S3/c1-12-19-16-7-6-15(11-17(16)25-12)26(22,23)9-8-18(21)20-13-4-3-5-14(10-13)24-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)