N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C23H16N4O3S2 MolecularWeight: 460.52814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O3S2/c28-21(13-8-15-4-3-5-18(14-15)27(29)30)26-23(31)24-17-11-9-16(10-12-17)22-25-19-6-1-2-7-20(19)32-22/h1-14H,(H2,24,26,28,31)