3-bromanyl-N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C17H13BrClN3O2S2 MolecularWeight: 470.79102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)Br

InChI

InChI=1S/C17H13BrClN3O2S2/c1-2-24-12-7-6-9(8-10(12)18)15(23)21-16(25)22-17-20-14-11(19)4-3-5-13(14)26-17/h3-8H,2H2,1H3,(H2,20,21,22,23,25)