N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C21H13ClN4O4S MolecularWeight: 452.87032

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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)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN4O4S/c22-16-10-7-13(11-15(16)20-24-17-3-1-2-4-18(17)30-20)23-21(31)25-19(27)12-5-8-14(9-6-12)26(28)29/h1-11H,(H2,23,25,27,31)