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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-dimethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-dimethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C25H32N4O3S3 MolecularWeight: 532.74158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N4O3S3/c1-27(2)17-18-29(25-26-23-21(33-3)9-8-10-22(23)34-25)24(30)19-11-13-20(14-12-19)35(31,32)28-15-6-4-5-7-16-28/h8-14H,4-7,15-18H2,1-3H3