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

Systemtic Name: ethyl 2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-butoxybenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxybenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-butoxybenzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C19H23N3O4S2/c1-4-6-11-26-14-9-7-13(8-10-14)16(23)21-18(27)22-19-20-12(3)15(28-19)17(24)25-5-2/h7-10H,4-6,11H2,1-3H3,(H2,20,21,22,23,27)