N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-piperidinosulfonyl-benzamide Formula: C23H27N3O3S3 MolecularWeight: 489.67378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)CCSC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)S2)CCSC

InChI

InChI=1S/C23H27N3O3S3/c1-17-6-11-20-21(16-17)31-23(26(20)14-15-30-2)24-22(27)18-7-9-19(10-8-18)32(28,29)25-12-4-3-5-13-25/h6-11,16H,3-5,12-15H2,1-2H3