ethyl 4-cyano-3-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C22H23N5O5S2 MolecularWeight: 501.57852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C22H23N5O5S2/c1-3-32-21(29)18-13(2)15(12-23)20(34-18)25-22(33)24-19(28)14-7-8-16(17(11-14)27(30)31)26-9-5-4-6-10-26/h7-8,11H,3-6,9-10H2,1-2H3,(H2,24,25,28,33)