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

Systemtic Name: 3-chloranyl-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H16ClN3O2S2 MolecularWeight: 453.96434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H16ClN3O2S2/c23-19-16-10-3-4-11-17(16)30-20(19)21(28)24-22(29)26-25-18(27)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,25,27)(H2,24,26,28,29)