5-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C19H18BrN3O4S2 MolecularWeight: 496.39792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)OC

InChI

InChI=1S/C19H18BrN3O4S2/c1-9-5-10(20)6-12(16(9)27-4)17(24)22-18(28)23-19-21-15-13(26-3)7-11(25-2)8-14(15)29-19/h5-8H,1-4H3,(H2,21,22,23,24,28)