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

Systemtic Name: methyl 4-methyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21N5O5S2/c1-11-15(17(26)29-2)31-19(20-11)22-18(30)21-16(25)12-6-7-13(14(10-12)24(27)28)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9H2,1-2H3,(H2,20,21,22,25,30)