N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide

Systemtic Name: N-[6-chloranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-[6-chloro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C20H21ClN2O4S3 MolecularWeight: 485.03974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CCSC

InChI

InChI=1S/C20H21ClN2O4S3/c1-27-15-4-6-16(7-5-15)30(25,26)12-9-19(24)22-20-23(10-11-28-2)17-8-3-14(21)13-18(17)29-20/h3-8,13H,9-12H2,1-2H3