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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-15(2)18-11-12-22-20(13-18)27-24(33-22)17-9-7-16(8-10-17)14-26-25(34)28-23(30)19-5-3-4-6-21(19)29(31)32/h3-13,15H,14H2,1-2H3,(H2,26,28,30,34)