3-bromanyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C18H13BrClN3O3S2 MolecularWeight: 498.80112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=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)21-18(27)23-22-17(25)15-14(20)10-4-2-3-5-13(10)28-15/h2-8H,1H3,(H,22,25)(H2,21,23,24,27)