3-chloranyl-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(3-methylbenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(3-methylbenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(m-toluoylamino)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H14ClN3O2S2 MolecularWeight: 403.90566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O2S2/c1-10-5-4-6-11(9-10)16(23)21-22-18(25)20-17(24)15-14(19)12-7-2-3-8-13(12)26-15/h2-9H,1H3,(H,21,23)(H2,20,22,24,25)