N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide Openeye Name: 4-isopropylsulfonyl-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide Traditional Name: 4-isopropylsulfonyl-N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H24N2O3S3 MolecularWeight: 448.62186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CCSC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CCSC

InChI

InChI=1S/C21H24N2O3S3/c1-14(2)29(25,26)17-8-6-16(7-9-17)20(24)22-21-23(11-12-27-4)18-10-5-15(3)13-19(18)28-21/h5-10,13-14H,11-12H2,1-4H3