ethyl 2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4-methyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(4-methyl-3-nitro-benzoyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(4-methyl-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(4-methyl-3-nitrobenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(4-methyl-3-nitro-benzoyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H22N4O5S2 MolecularWeight: 498.57458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5S2/c1-3-32-22(29)18-13-17(11-15-7-5-4-6-8-15)34-21(18)24-23(33)26-25-20(28)16-10-9-14(2)19(12-16)27(30)31/h4-10,12-13H,3,11H2,1-2H3,(H,25,28)(H2,24,26,33)