N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H18N4O4S/c1-13-10-14(2)20-19(11-13)25-22(31-20)15-6-8-17(9-7-15)24-23(32)26-21(28)16-4-3-5-18(12-16)27(29)30/h3-12H,1-2H3,(H2,24,26,28,32)