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

Systemtic Name: ethyl 4-methyl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-propoxybenzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-propoxybenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(4-propoxybenzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C18H21N3O4S2/c1-4-10-25-13-8-6-12(7-9-13)15(22)20-17(26)21-18-19-11(3)14(27-18)16(23)24-5-2/h6-9H,4-5,10H2,1-3H3,(H2,19,20,21,22,26)