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

Systemtic Name: ethyl 4-methyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S2/c1-3-30-18(27)16-12(2)21-20(32-16)23-19(31)22-17(26)13-7-8-14(15(11-13)25(28)29)24-9-5-4-6-10-24/h7-8,11H,3-6,9-10H2,1-2H3,(H2,21,22,23,26,31)