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

Systemtic Name: 3-chloranyl-N-[(2-naphthalen-1-yloxyethanoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(1-naphthyloxy)acetyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(1-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(1-naphthoxy)acetyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C22H16ClN3O3S2 MolecularWeight: 469.96374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H16ClN3O3S2/c23-19-15-9-3-4-11-17(15)31-20(19)21(28)24-22(30)26-25-18(27)12-29-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,25,27)(H2,24,26,28,30)