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

Systemtic Name: methyl 4-methyl-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid methyl ester Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H19N5O5S2/c1-10-14(16(25)28-2)30-18(19-10)21-17(29)20-15(24)11-5-6-12(13(9-11)23(26)27)22-7-3-4-8-22/h5-6,9H,3-4,7-8H2,1-2H3,(H2,19,20,21,24,29)