methyl 2-[(4-ethylphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(4-ethylphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(4-ethylbenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethylbenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-ethylbenzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C

InChI

InChI=1S/C16H17N3O3S2/c1-4-10-5-7-11(8-6-10)13(20)18-15(23)19-16-17-9(2)12(24-16)14(21)22-3/h5-8H,4H2,1-3H3,(H2,17,18,19,20,23)