2-[(5-bromanylthiophen-2-yl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide Openeye Name: 2-[(5-bromo-2-thienyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenyl-propanamide CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide IUPAC Name: 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenyl-propionamide Formula: C21H18BrN3O3S3 MolecularWeight: 536.48492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H18BrN3O3S3/c1-13-7-8-15-17(11-13)29-21(23-15)24-20(26)16(12-14-5-3-2-4-6-14)25-31(27,28)19-10-9-18(22)30-19/h2-11,16,25H,12H2,1H3,(H,23,24,26)