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

Systemtic Name: 3-chloranyl-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H18ClN3O2S2 MolecularWeight: 480.00162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3O2S2/c1-14-6-2-3-7-17(14)22(29)26-15-10-12-16(13-11-15)27-24(31)28-23(30)21-20(25)18-8-4-5-9-19(18)32-21/h2-13H,1H3,(H,26,29)(H2,27,28,30,31)