N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H25N3O3S4 MolecularWeight: 495.7015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)S2)CCSC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)S2)CCSC

InChI

InChI=1S/C21H25N3O3S4/c1-15-5-6-17-18(14-15)30-21(24(17)11-13-28-2)22-20(25)16-7-9-23(10-8-16)31(26,27)19-4-3-12-29-19/h3-6,12,14,16H,7-11,13H2,1-2H3