N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c1-4-31-20-10-7-16(12-19(20)27(29)30)21(28)24-22(32)23-17-8-5-15(6-9-17)11-18-13(2)25-26-14(18)3/h5-10,12H,4,11H2,1-3H3,(H,25,26)(H2,23,24,28,32)