ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C30H36N2O4S2 MolecularWeight: 552.74784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C30H36N2O4S2/c1-7-35-28(34)26-24(21-11-10-19(2)20(3)17-21)18-38-27(26)32-29(37)31-25(33)9-8-16-36-23-14-12-22(13-15-23)30(4,5)6/h10-15,17-18H,7-9,16H2,1-6H3,(H2,31,32,33,37)