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

Systemtic Name: 3-methyl-4-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-14(2)16-8-10-22-20(13-16)27-24(33-22)18-5-4-6-19(12-18)26-25(34)28-23(30)17-7-9-21(29(31)32)15(3)11-17/h4-14H,1-3H3,(H2,26,28,30,34)