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

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide CAS Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H23N3O4S3/c1-29-15-12-24-18-4-2-3-5-19(18)30-21(24)22-20(25)16-6-8-17(9-7-16)31(26,27)23-10-13-28-14-11-23/h2-9H,10-15H2,1H3