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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C27H36N4O3S3 MolecularWeight: 560.79474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3S3/c1-4-29(5-2)19-20-31(27-28-25-23(35-3)11-10-12-24(25)36-27)26(32)21-13-15-22(16-14-21)37(33,34)30-17-8-6-7-9-18-30/h10-16H,4-9,17-20H2,1-3H3