N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide

Systemtic Name: N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide Openeye Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide IUPAC Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide Traditional Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C17H15BrN2O3S2 MolecularWeight: 439.3466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H15BrN2O3S2/c1-3-20-15-13(18)8-5-9-14(15)24-17(20)19-16(21)11-6-4-7-12(10-11)25(2,22)23/h4-10H,3H2,1-2H3