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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C23H15ClN4O4S MolecularWeight: 478.9076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H15ClN4O4S/c24-18-10-9-15(13-17(18)22-26-19-6-1-2-7-20(19)32-22)25-23(33)27-21(29)11-8-14-4-3-5-16(12-14)28(30)31/h1-13H,(H2,25,27,29,33)