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

Systemtic Name: ethyl 4-methyl-2-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-isopropylbenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-propan-2-ylbenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-(cumoylthiocarbamoylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C)C

InChI

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