3-chloranyl-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[(3-methylolphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC(=C3)CO)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC(=C3)CO)Cl

InChI

InChI=1S/C18H15ClN2O3S2/c1-24-12-5-6-13-14(8-12)26-16(15(13)19)17(23)21-18(25)20-11-4-2-3-10(7-11)9-22/h2-8,22H,9H2,1H3,(H2,20,21,23,25)