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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C23H27N3O3S3 MolecularWeight: 489.67378

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H27N3O3S3/c1-30-17-16-26-20-8-4-5-9-21(20)31-23(26)24-22(27)18-10-12-19(13-11-18)32(28,29)25-14-6-2-3-7-15-25/h4-5,8-13H,2-3,6-7,14-17H2,1H3