N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide CAS Name: N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]propanamide Traditional Name: 3-benzylsulfonyl-N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]propionamide Formula: C22H26N2O3S3 MolecularWeight: 462.64844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CCSC

InChI

InChI=1S/C22H26N2O3S3/c1-16-13-19-20(14-17(16)2)29-22(24(19)10-11-28-3)23-21(25)9-12-30(26,27)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3