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

Systemtic Name: 3-chloranyl-N-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H14ClN3O3S2 MolecularWeight: 455.93716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)O

InChI

InChI=1S/C21H14ClN3O3S2/c22-17-13-7-3-4-8-16(13)30-18(17)20(28)23-21(29)25-24-19(27)14-9-11-5-1-2-6-12(11)10-15(14)26/h1-10,26H,(H,24,27)(H2,23,25,28,29)