N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonyl-benzamide Openeye Name: 3-isopropylsulfonyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonylbenzamide Traditional Name: 3-isopropylsulfonyl-N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H24N2O4S3 MolecularWeight: 464.62126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)OC)CCSC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)OC)CCSC

InChI

InChI=1S/C21H24N2O4S3/c1-14(2)30(25,26)17-7-5-6-15(12-17)20(24)22-21-23(10-11-28-4)18-13-16(27-3)8-9-19(18)29-21/h5-9,12-14H,10-11H2,1-4H3