4-(azepan-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O3S3/c1-28-21-23-18-11-8-16(14-19(18)29-21)22-20(25)15-6-9-17(10-7-15)30(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,22,25)