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

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S2/c1-5-32-26(31)24-22(20-11-10-18(3)19(4)15-20)16-35-25(24)29-27(34)28-23(30)7-6-14-33-21-12-8-17(2)9-13-21/h8-13,15-16H,5-7,14H2,1-4H3,(H2,28,29,30,34)