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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C18H13BrClN3O2S2 MolecularWeight: 482.80172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C18H13BrClN3O2S2/c1-9-6-7-10(8-12(9)19)16(24)22-23-18(26)21-17(25)15-14(20)11-4-2-3-5-13(11)27-15/h2-8H,1H3,(H,22,24)(H2,21,23,25,26)