butyl 4-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H26N2O4S/c1-4-5-14-30-24(29)18-8-10-20(11-9-18)26-25(32)27-23(28)22-13-12-21(31-22)19-7-6-16(2)17(3)15-19/h6-13,15H,4-5,14H2,1-3H3,(H2,26,27,28,32)