N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C18H13BrClN3O3S2 MolecularWeight: 498.80112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C18H13BrClN3O3S2/c1-26-12-7-6-9(8-11(12)19)16(24)22-23-18(27)21-17(25)15-14(20)10-4-2-3-5-13(10)28-15/h2-8H,1H3,(H,22,24)(H2,21,23,25,27)