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

Systemtic Name: N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide CAS Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide Traditional Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide Formula: C20H21ClN2O3S3 MolecularWeight: 469.04034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3S3/c1-13(2)29(25,26)16-7-4-14(5-8-16)19(24)22-20-23(10-11-27-3)17-9-6-15(21)12-18(17)28-20/h4-9,12-13H,10-11H2,1-3H3