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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

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