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

Systemtic Name: 3-chloranyl-N-[[4-methyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-benzoyl-4-methyl-phenyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(2-benzoyl-4-methylanilino)-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-benzoyl-4-methylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-benzoyl-4-methyl-phenyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C24H17ClN2O2S2 MolecularWeight: 464.98698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H17ClN2O2S2/c1-14-11-12-18(17(13-14)21(28)15-7-3-2-4-8-15)26-24(30)27-23(29)22-20(25)16-9-5-6-10-19(16)31-22/h2-13H,1H3,(H2,26,27,29,30)