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

Systemtic Name: methyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H21N3O3S2/c1-10-13(15(23)24-5)26-17(19-10)21-16(25)20-14(22)11-6-8-12(9-7-11)18(2,3)4/h6-9H,1-5H3,(H2,19,20,21,22,25)