4-chloranyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C17H10Cl2N4O4S2 MolecularWeight: 469.3217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10Cl2N4O4S2/c18-10-6-5-8(7-11(10)23(26)27)15(24)20-17(28)22-21-16(25)14-13(19)9-3-1-2-4-12(9)29-14/h1-7H,(H,21,25)(H2,20,22,24,28)