(E)-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C19H13ClN4O4S2 MolecularWeight: 460.91392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NNC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O4S2/c20-16-13-6-1-2-7-14(13)30-17(16)18(26)22-23-19(29)21-15(25)9-8-11-4-3-5-12(10-11)24(27)28/h1-10H,(H,22,26)(H2,21,23,25,29)/b9-8+