3-chloranyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H15ClN4O2S2 MolecularWeight: 442.9417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H15ClN4O2S2/c21-17-13-6-2-4-8-15(13)29-18(17)19(27)22-20(28)24-23-16(26)11-25-10-9-12-5-1-3-7-14(12)25/h1-10H,11H2,(H,23,26)(H2,22,24,27,28)