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

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

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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=C(C=C3)Cl)CCSC

Isomeric SMILES

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

InChI

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