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

Systemtic Name: 3-chloranyl-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H19ClN4O3S2 MolecularWeight: 523.02636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H19ClN4O3S2/c1-14-6-2-3-7-17(14)23(32)27-16-12-10-15(11-13-16)22(31)29-30-25(34)28-24(33)21-20(26)18-8-4-5-9-19(18)35-21/h2-13H,1H3,(H,27,32)(H,29,31)(H2,28,30,33,34)