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

Systemtic Name: methyl 4-cyano-3-methyl-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H21N5O5S2/c1-12-14(11-22)19(33-17(12)20(28)31-2)24-21(32)23-18(27)13-6-7-15(16(10-13)26(29)30)25-8-4-3-5-9-25/h6-7,10H,3-5,8-9H2,1-2H3,(H2,23,24,27,32)