3-chloranyl-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(2-propoxybenzoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClN3O3S2/c1-2-11-27-14-9-5-3-7-12(14)18(25)23-24-20(28)22-19(26)17-16(21)13-8-4-6-10-15(13)29-17/h3-10H,2,11H2,1H3,(H,23,25)(H2,22,24,26,28)