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

Systemtic Name: 3-chloranyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(veratroylamino)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H16ClN3O4S2 MolecularWeight: 449.93104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C19H16ClN3O4S2/c1-26-12-8-7-10(9-13(12)27-2)17(24)22-23-19(28)21-18(25)16-15(20)11-5-3-4-6-14(11)29-16/h3-9H,1-2H3,(H,22,24)(H2,21,23,25,28)