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

Systemtic Name: methyl 4-methyl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[(4-propoxybenzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-propoxybenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(4-propoxybenzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S2/c1-4-9-24-12-7-5-11(6-8-12)14(21)19-16(25)20-17-18-10(2)13(26-17)15(22)23-3/h5-8H,4,9H2,1-3H3,(H2,18,19,20,21,25)