(E)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[4-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[4-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C23H17N5O3S MolecularWeight: 443.47778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O3S/c29-21(13-8-15-4-3-5-18(14-15)28(30)31)27-23(32)24-17-11-9-16(10-12-17)22-25-19-6-1-2-7-20(19)26-22/h1-14H,(H,25,26)(H2,24,27,29,32)/b13-8+