4-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H22BrN3O3S2 MolecularWeight: 508.45168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H22BrN3O3S2/c1-24-19-17(22)7-6-8-18(19)29-21(24)23-20(26)15-9-11-16(12-10-15)30(27,28)25-13-4-2-3-5-14-25/h6-12H,2-5,13-14H2,1H3