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

Systemtic Name: ethyl 2-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C21H21N3O4S2/c1-5-27-19(26)17-13(4)22-21(30-17)24-20(29)23-18(25)16-9-8-15(28-16)14-7-6-11(2)12(3)10-14/h6-10H,5H2,1-4H3,(H2,22,23,24,25,29)