N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-benzylsulfonyl-N-[5,7-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C23H28N2O3S3 MolecularWeight: 476.67502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC)C

InChI

InChI=1S/C23H28N2O3S3/c1-17-14-18(2)22-20(15-17)25(11-12-29-3)23(30-22)24-21(26)10-7-13-31(27,28)16-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3