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

Systemtic Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H22N4O4S/c1-4-16-9-11-22-20(12-16)26-24(33-22)17-10-8-14(2)19(13-17)27-25(34)28-23(30)18-6-5-7-21(15(18)3)29(31)32/h5-13H,4H2,1-3H3,(H2,27,28,30,34)