3-chloranyl-N-[(2,4-dimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2,4-dimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2,4-dimethylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2,4-dimethylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H15ClN2OS2 MolecularWeight: 374.9075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2OS2/c1-10-7-8-13(11(2)9-10)20-18(23)21-17(22)16-15(19)12-5-3-4-6-14(12)24-16/h3-9H,1-2H3,(H2,20,21,22,23)