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

Systemtic Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide Openeye Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propanamide CAS Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide IUPAC Name: N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonylpropanamide Traditional Name: N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-methoxyphenyl)sulfonyl-propionamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)OC)S2)CCSC

InChI

InChI=1S/C22H26N2O4S3/c1-4-16-5-10-19-20(15-16)30-22(24(19)12-13-29-3)23-21(25)11-14-31(26,27)18-8-6-17(28-2)7-9-18/h5-10,15H,4,11-14H2,1-3H3