N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[5-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[5-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)N2CCSC

InChI

InChI=1S/C22H26N2O4S3/c1-28-18-10-11-20-19(15-18)24(12-13-29-2)22(30-20)23-21(25)9-6-14-31(26,27)16-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14,16H2,1-2H3