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

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

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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)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

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